2-Amino-6-chloro-4-pyrimidinone - CAS 1194-21-4
Catalog: |
BB004498 |
Product Name: |
2-Amino-6-chloro-4-pyrimidinone |
CAS: |
1194-21-4 |
Synonyms: |
2-amino-4-chloro-1H-pyrimidin-6-one; 2-amino-4-chloro-1H-pyrimidin-6-one |
IUPAC Name: | 2-amino-4-chloro-1H-pyrimidin-6-one |
Description: | 2-Amino-6-chloro-4-pyrimidinone (CAS# 1194-21-4) is used to prepare O- and N-phosphonomethoxyalkyl pyrimidines with antiviral activities. It is also used to synthesize (±)-9-[[(Z)-2-(hydroxymethyl)cyclopropyl]methyl]guanine with antiherpetic activities. |
Molecular Weight: | 145.55 |
Molecular Formula: | C4H4ClN3O |
Canonical SMILES: | C1=C(N=C(NC1=O)N)Cl |
InChI: | InChI=1S/C4H4ClN3O/c5-2-1-3(9)8-4(6)7-2/h1H,(H3,6,7,8,9) |
InChI Key: | VBWACOJLJYUFKJ-UHFFFAOYSA-N |
Boiling Point: | 259.1 °C at 760 mmHg |
Density: | 1.79 g/cm3 |
MDL: | MFCD12028107 |
LogP: | 0.99900 |
GHS Hazard Statement: | H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
US-2021238213-A1 | SOLID-PHASE SYNTHESIS OF OLIGONUCLEOTIDES CONTAINING N6-(2-DEOXY-ALPHA,BETA-DERYTHROPENTOFURANOSYL)-2,6-DIAMINO-4-HYDROXY-5-FORMAMIDOPYRIMIDINE (Fapy.dG) | 20200128 |
WO-2020061473-A1 | Small molecules targeting mutant mammalian proteins | 20180921 |
WO-2020061477-A1 | Methods of treating creatine transporter deficiency | 20180921 |
TW-202024038-A | Small molecules targeting mutant mammalian proteins | 20180921 |
US-2021299070-A1 | Methods of treating creatine transporter deficiency | 20180921 |
Complexity: | 208 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 145.0042895 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 145.0042895 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 67.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.5 |
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