(1R)-1-[4-methyl-2-(5-methylpyrimidin-2-yl)pyrimidin-5-yl]ethanol

C12H14N4O — CID 103431340

IUPAC(1R)-1-[4-methyl-2-(5-methylpyrimidin-2-yl)pyrimidin-5-yl]ethanol
SMILESCc1cnc(-c2ncc([C@@H](C)O)c(C)n2)nc1
InChIInChI=1S/C12H14N4O/c1-7-4-13-11(14-5-7)12-15-6-10(9(3)17)8(2)16-12/h4-6,9,17H,1-3H3/t9-/m1/s1
InChIKeyFSNNJBKQMFGQJN-SECBINFHSA-N
MW230.27 g/mol
LogP1.60
Rot. Bonds2

About (1R)-1-[4-methyl-2-(5-methylpyrimidin-2-yl)pyrimidin-5-yl]ethanol

(1R)-1-[4-methyl-2-(5-methylpyrimidin-2-yl)pyrimidin-5-yl]ethanol (PubChem CID 103431340) has the molecular formula C12H14N4O and a molecular weight of 230.27 g/mol. Its IUPAC name is (1R)-1-[4-methyl-2-(5-methylpyrimidin-2-yl)pyrimidin-5-yl]ethanol.

Molecular Properties

Compound Name(1R)-1-[4-methyl-2-(5-methylpyrimidin-2-yl)pyrimidin-5-yl]ethanol
PubChem CID103431340
Molecular FormulaC12H14N4O
Molecular Weight230.27 g/mol
Exact Mass230.12
IUPAC Name(1R)-1-[4-methyl-2-(5-methylpyrimidin-2-yl)pyrimidin-5-yl]ethanol
SMILESCc1cnc(-c2ncc([C@@H](C)O)c(C)n2)nc1
InChIInChI=1S/C12H14N4O/c1-7-4-13-11(14-5-7)12-15-6-10(9(3)17)8(2)16-12/h4-6,9,17H,1-3H3/t9-/m1/s1
InChIKeyFSNNJBKQMFGQJN-SECBINFHSA-N
XLogP1.60
TPSA71.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (1R)-1-[4-methyl-2-(5-methylpyrimidin-2-yl)pyrimidin-5-yl]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[4-methyl-2-(5-methylpyrimidin-2-yl)pyrimidin-5-yl]ethanol?
The IUPAC name of (1R)-1-[4-methyl-2-(5-methylpyrimidin-2-yl)pyrimidin-5-yl]ethanol (CID 103431340) is (1R)-1-[4-methyl-2-(5-methylpyrimidin-2-yl)pyrimidin-5-yl]ethanol.
What is the SMILES notation for (1R)-1-[4-methyl-2-(5-methylpyrimidin-2-yl)pyrimidin-5-yl]ethanol?
The canonical SMILES for (1R)-1-[4-methyl-2-(5-methylpyrimidin-2-yl)pyrimidin-5-yl]ethanol is Cc1cnc(-c2ncc([C@@H](C)O)c(C)n2)nc1.
What is the InChIKey of (1R)-1-[4-methyl-2-(5-methylpyrimidin-2-yl)pyrimidin-5-yl]ethanol?
The InChIKey is FSNNJBKQMFGQJN-SECBINFHSA-N. The full InChI is InChI=1S/C12H14N4O/c1-7-4-13-11(14-5-7)12-15-6-10(9(3)17)8(2)16-12/h4-6,9,17H,1-3H3/t9-/m1/s1.
What are the key properties of (1R)-1-[4-methyl-2-(5-methylpyrimidin-2-yl)pyrimidin-5-yl]ethanol?
(1R)-1-[4-methyl-2-(5-methylpyrimidin-2-yl)pyrimidin-5-yl]ethanol has a molecular weight of 230.27 g/mol, XLogP of 1.60, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[4-methyl-2-(5-methylpyrimidin-2-yl)pyrimidin-5-yl]ethanol is sourced from PubChem (CID 103431340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).