[1-[4-(3,4-dimethylphenyl)-6-methylpyrimidin-2-yl]cyclopropyl]methanol

C17H20N2O — CID 116896010

IUPAC[1-[4-(3,4-dimethylphenyl)-6-methylpyrimidin-2-yl]cyclopropyl]methanol
SMILESCc1cc(-c2ccc(C)c(C)c2)nc(C2(CO)CC2)n1
InChIInChI=1S/C17H20N2O/c1-11-4-5-14(8-12(11)2)15-9-13(3)18-16(19-15)17(10-20)6-7-17/h4-5,8-9,20H,6-7,10H2,1-3H3
InChIKeyXEKJZGSDLZUWOQ-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.09
Rot. Bonds3

About [1-[4-(3,4-dimethylphenyl)-6-methylpyrimidin-2-yl]cyclopropyl]methanol

[1-[4-(3,4-dimethylphenyl)-6-methylpyrimidin-2-yl]cyclopropyl]methanol (PubChem CID 116896010) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is [1-[4-(3,4-dimethylphenyl)-6-methylpyrimidin-2-yl]cyclopropyl]methanol.

Molecular Properties

Compound Name[1-[4-(3,4-dimethylphenyl)-6-methylpyrimidin-2-yl]cyclopropyl]methanol
PubChem CID116896010
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name[1-[4-(3,4-dimethylphenyl)-6-methylpyrimidin-2-yl]cyclopropyl]methanol
SMILESCc1cc(-c2ccc(C)c(C)c2)nc(C2(CO)CC2)n1
InChIInChI=1S/C17H20N2O/c1-11-4-5-14(8-12(11)2)15-9-13(3)18-16(19-15)17(10-20)6-7-17/h4-5,8-9,20H,6-7,10H2,1-3H3
InChIKeyXEKJZGSDLZUWOQ-UHFFFAOYSA-N
XLogP3.09
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [1-[4-(3,4-dimethylphenyl)-6-methylpyrimidin-2-yl]cyclopropyl]methanol with MolForge

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

Launch Full Analysis

Related Compounds

[1-[4-(3,4-dimethylphenyl)-6-methylpyrimidin-2-yl]cyclopropyl]methanamine
CID 116896049
[1-[4-methyl-6-(1H-pyrrol-3-yl)pyrimidin-2-yl]cyclopropyl]methanol
CID 116896017
[3-(4-methyl-6-pyridin-4-ylpyrimidin-2-yl)oxetan-3-yl]methanol
CID 116896303
[1-[4-(5-bromo-2-fluorophenyl)-6-methylpyrimidin-2-yl]cyclopropyl]methanol
CID 116896019
[1-(4-methyl-6-pyridin-2-ylpyrimidin-2-yl)cyclobutyl]methanol
CID 116896211
2-amino-1-[4-(3,4-dimethylphenyl)-6-methylpyrimidin-2-yl]ethanol
CID 116895841
4-(3,4-dimethylphenyl)-6-methylpyrimidin-2-amine
CID 62481951
[3-(4-methyl-6-pyridin-3-ylpyrimidin-2-yl)oxetan-3-yl]methanol
CID 116896302
[1-[5-(3,4-dimethylphenyl)-1,2-oxazol-3-yl]cyclopropyl]methanol
CID 102543893
2-[4-(3,4-dimethylphenyl)-6-methylpyrimidin-2-yl]propan-2-ol
CID 116895699
[1-[4-(4-bromophenyl)-6-methylpyrimidin-2-yl]cyclobutyl]methanamine
CID 116896148
2-(2-chloroethyl)-4-(3,4-dimethylphenyl)-6-methylpyrimidine
CID 116893741

Frequently Asked Questions

What is the IUPAC name of [1-[4-(3,4-dimethylphenyl)-6-methylpyrimidin-2-yl]cyclopropyl]methanol?
The IUPAC name of [1-[4-(3,4-dimethylphenyl)-6-methylpyrimidin-2-yl]cyclopropyl]methanol (CID 116896010) is [1-[4-(3,4-dimethylphenyl)-6-methylpyrimidin-2-yl]cyclopropyl]methanol.
What is the SMILES notation for [1-[4-(3,4-dimethylphenyl)-6-methylpyrimidin-2-yl]cyclopropyl]methanol?
The canonical SMILES for [1-[4-(3,4-dimethylphenyl)-6-methylpyrimidin-2-yl]cyclopropyl]methanol is Cc1cc(-c2ccc(C)c(C)c2)nc(C2(CO)CC2)n1.
What is the InChIKey of [1-[4-(3,4-dimethylphenyl)-6-methylpyrimidin-2-yl]cyclopropyl]methanol?
The InChIKey is XEKJZGSDLZUWOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-11-4-5-14(8-12(11)2)15-9-13(3)18-16(19-15)17(10-20)6-7-17/h4-5,8-9,20H,6-7,10H2,1-3H3.
What are the key properties of [1-[4-(3,4-dimethylphenyl)-6-methylpyrimidin-2-yl]cyclopropyl]methanol?
[1-[4-(3,4-dimethylphenyl)-6-methylpyrimidin-2-yl]cyclopropyl]methanol has a molecular weight of 268.36 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-(3,4-dimethylphenyl)-6-methylpyrimidin-2-yl]cyclopropyl]methanol is sourced from PubChem (CID 116896010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).