[2-[(3,4-dimethylphenyl)methyl]pyrimidin-5-yl]methanol

C14H16N2O — CID 62904211

IUPAC[2-[(3,4-dimethylphenyl)methyl]pyrimidin-5-yl]methanol
SMILESCc1ccc(Cc2ncc(CO)cn2)cc1C
InChIInChI=1S/C14H16N2O/c1-10-3-4-12(5-11(10)2)6-14-15-7-13(9-17)8-16-14/h3-5,7-8,17H,6,9H2,1-2H3
InChIKeyXHIRNVVIKYNGBO-UHFFFAOYSA-N
MW228.29 g/mol
LogP2.18
Rot. Bonds3

About [2-[(3,4-dimethylphenyl)methyl]pyrimidin-5-yl]methanol

[2-[(3,4-dimethylphenyl)methyl]pyrimidin-5-yl]methanol (PubChem CID 62904211) has the molecular formula C14H16N2O and a molecular weight of 228.29 g/mol. Its IUPAC name is [2-[(3,4-dimethylphenyl)methyl]pyrimidin-5-yl]methanol.

Molecular Properties

Compound Name[2-[(3,4-dimethylphenyl)methyl]pyrimidin-5-yl]methanol
PubChem CID62904211
Molecular FormulaC14H16N2O
Molecular Weight228.29 g/mol
Exact Mass228.13
IUPAC Name[2-[(3,4-dimethylphenyl)methyl]pyrimidin-5-yl]methanol
SMILESCc1ccc(Cc2ncc(CO)cn2)cc1C
InChIInChI=1S/C14H16N2O/c1-10-3-4-12(5-11(10)2)6-14-15-7-13(9-17)8-16-14/h3-5,7-8,17H,6,9H2,1-2H3
InChIKeyXHIRNVVIKYNGBO-UHFFFAOYSA-N
XLogP2.18
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[(3-methylphenyl)methyl]pyrimidin-5-yl]methanol
CID 62757531
[2-[(4-fluorophenyl)methyl]pyrimidin-5-yl]methanol
CID 62757349
5-bromo-4-chloro-2-[(3,4-dimethylphenyl)methyl]pyrimidine
CID 66294911
[2-(3,4-dimethylphenoxy)pyrimidin-5-yl]methanol
CID 113387908
[6-(3,4-dimethylphenoxy)-5-methyl-3-pyridinyl]methanol
CID 80628087
2-[(3,4-dimethylphenyl)methyl]-4-propan-2-ylpyrimidine-5-carboxylic acid
CID 62902963
[2-[(2-methoxyphenyl)methyl]pyrimidin-5-yl]methanol
CID 62757708
(6-iodo-5-methyl-3-pyridinyl)methanol
CID 54084953
[2-[(3,4-dichlorophenyl)methyl]-4-methylpyrimidin-5-yl]methanol
CID 114204957
[4-[(3,4-dimethylphenyl)methoxy]-3,5-difluorophenyl]methanol
CID 79888635
[4-(N-(3,4-dimethylphenyl)-3,4-dimethylanilino)phenyl]methanol
CID 54528653
2-[(3-methyl-4-propan-2-yloxyphenyl)methyl]pyrimidin-5-amine
CID 82300056

Frequently Asked Questions

What is the IUPAC name of [2-[(3,4-dimethylphenyl)methyl]pyrimidin-5-yl]methanol?
The IUPAC name of [2-[(3,4-dimethylphenyl)methyl]pyrimidin-5-yl]methanol (CID 62904211) is [2-[(3,4-dimethylphenyl)methyl]pyrimidin-5-yl]methanol.
What is the SMILES notation for [2-[(3,4-dimethylphenyl)methyl]pyrimidin-5-yl]methanol?
The canonical SMILES for [2-[(3,4-dimethylphenyl)methyl]pyrimidin-5-yl]methanol is Cc1ccc(Cc2ncc(CO)cn2)cc1C.
What is the InChIKey of [2-[(3,4-dimethylphenyl)methyl]pyrimidin-5-yl]methanol?
The InChIKey is XHIRNVVIKYNGBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c1-10-3-4-12(5-11(10)2)6-14-15-7-13(9-17)8-16-14/h3-5,7-8,17H,6,9H2,1-2H3.
What are the key properties of [2-[(3,4-dimethylphenyl)methyl]pyrimidin-5-yl]methanol?
[2-[(3,4-dimethylphenyl)methyl]pyrimidin-5-yl]methanol has a molecular weight of 228.29 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3,4-dimethylphenyl)methyl]pyrimidin-5-yl]methanol is sourced from PubChem (CID 62904211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).