4-Chloro-5-(hydroxymethyl)-2-(methylthio)pyrimidine - CAS 1044145-59-6
Catalog: |
BB001393 |
Product Name: |
4-Chloro-5-(hydroxymethyl)-2-(methylthio)pyrimidine |
CAS: |
1044145-59-6 |
Synonyms: |
[4-chloro-2-(methylthio)-5-pyrimidinyl]methanol; (4-chloro-2-methylsulfanylpyrimidin-5-yl)methanol |
IUPAC Name: | (4-chloro-2-methylsulfanylpyrimidin-5-yl)methanol |
Description: | 4-Chloro-5-(hydroxymethyl)-2-(methylthio)pyrimidine (CAS# 1044145-59-6) is a useful research chemical. |
Molecular Weight: | 190.65 |
Molecular Formula: | C6H7ClN2OS |
Canonical SMILES: | CSC1=NC=C(C(=N1)Cl)CO |
InChI: | InChI=1S/C6H7ClN2OS/c1-11-6-8-2-4(3-10)5(7)9-6/h2,10H,3H2,1H3 |
InChI Key: | ADJUHOQFENGHSW-UHFFFAOYSA-N |
Storage: | Inert atmosphere, 2-8 °C |
MDL: | MFCD11858523 |
LogP: | 1.34420 |
GHS Hazard Statement: | H302 (100%): 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 |
CN-112142733-A | Synthetic route of pan FGFR covalent inhibitor PRN1371 | 20201016 |
WO-2021170076-A1 | Compounds as cdk2/4/6 inhibitors | 20200228 |
WO-2021073593-A1 | Aminopyrimidine compound as cdk2/4/6 triple inhibitor | 20191017 |
WO-2020140052-A1 | Cyclin-dependent kinase inhibitors | 20181228 |
WO-2020140054-A1 | Cyclin-dependent kinase inhibitors | 20181228 |
Complexity: | 127 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 189.9967617 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 189.9967617 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 71.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.1 |
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