(4-chloro-2-methylpyrimidin-5-yl)methanol

C6H7ClN2O — CID 15389329

IUPAC(4-chloro-2-methylpyrimidin-5-yl)methanol
SMILESCc1ncc(CO)c(Cl)n1
InChIInChI=1S/C6H7ClN2O/c1-4-8-2-5(3-10)6(7)9-4/h2,10H,3H2,1H3
InChIKeyPRPBPFFKUJBYSM-UHFFFAOYSA-N
MW158.59 g/mol
LogP0.93
Rot. Bonds1

About (4-chloro-2-methylpyrimidin-5-yl)methanol

(4-chloro-2-methylpyrimidin-5-yl)methanol (PubChem CID 15389329) has the molecular formula C6H7ClN2O and a molecular weight of 158.59 g/mol. Its IUPAC name is (4-chloro-2-methylpyrimidin-5-yl)methanol.

Molecular Properties

Compound Name(4-chloro-2-methylpyrimidin-5-yl)methanol
PubChem CID15389329
Molecular FormulaC6H7ClN2O
Molecular Weight158.59 g/mol
Exact Mass158.02
IUPAC Name(4-chloro-2-methylpyrimidin-5-yl)methanol
SMILESCc1ncc(CO)c(Cl)n1
InChIInChI=1S/C6H7ClN2O/c1-4-8-2-5(3-10)6(7)9-4/h2,10H,3H2,1H3
InChIKeyPRPBPFFKUJBYSM-UHFFFAOYSA-N
XLogP0.93
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.59
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-chloro-2-methylpyrimidin-5-yl)methanol?
The IUPAC name of (4-chloro-2-methylpyrimidin-5-yl)methanol (CID 15389329) is (4-chloro-2-methylpyrimidin-5-yl)methanol.
What is the SMILES notation for (4-chloro-2-methylpyrimidin-5-yl)methanol?
The canonical SMILES for (4-chloro-2-methylpyrimidin-5-yl)methanol is Cc1ncc(CO)c(Cl)n1.
What is the InChIKey of (4-chloro-2-methylpyrimidin-5-yl)methanol?
The InChIKey is PRPBPFFKUJBYSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7ClN2O/c1-4-8-2-5(3-10)6(7)9-4/h2,10H,3H2,1H3.
What are the key properties of (4-chloro-2-methylpyrimidin-5-yl)methanol?
(4-chloro-2-methylpyrimidin-5-yl)methanol has a molecular weight of 158.59 g/mol, XLogP of 0.93, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-2-methylpyrimidin-5-yl)methanol is sourced from PubChem (CID 15389329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).