2-Aminopyrimidine-4-carbonitrile - CAS 36314-98-4
Catalog: |
BB022933 |
Product Name: |
2-Aminopyrimidine-4-carbonitrile |
CAS: |
36314-98-4 |
Synonyms: |
2-amino-4-pyrimidinecarbonitrile; 2-aminopyrimidine-4-carbonitrile |
IUPAC Name: | 2-aminopyrimidine-4-carbonitrile |
Description: | 2-Aminopyrimidine-4-carbonitrile (CAS# 36314-98-4) is a derivative of Pyrimidine (P997330), a heterocyclic organic molecule present in many pharmaceutical and naturally derived compounds. |
Molecular Weight: | 120.11 |
Molecular Formula: | C5H4N4 |
Canonical SMILES: | C1=CN=C(N=C1C#N)N |
InChI: | InChI=1S/C5H4N4/c6-3-4-1-2-8-5(7)9-4/h1-2H,(H2,7,8,9) |
InChI Key: | KOTOJHBUFJPGEG-UHFFFAOYSA-N |
MDL: | MFCD09834971 |
LogP: | 0.51168 |
Publication Number | Title | Priority Date |
CA-3011180-A1 | 3-(carboxymethyl)-8-amino-2-oxo-1,3-diaza-spiro-[4.5]-decane derivatives | 20160113 |
EP-3402785-B1 | 3-(carboxymethyl)-8-amino-2-oxo-1,3-diaza-spiro-[4.5]-decane derivatives | 20160113 |
US-2017197971-A1 | 3-(Carboxymethyl)-8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives | 20160113 |
CA-2952307-A1 | 3-amino-1,5,6,7-tetrahydro-4h-indol-4-ones | 20140617 |
CN-106715415-A | 3-amino-1,5,6,7-tetrahydro-4H-indol-4-ones | 20140617 |
Complexity: | 135 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 120.043596145 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 120.043596145 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 75.6 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.1 |
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