[2-[(3-methylphenyl)methyl]pyrimidin-5-yl]methanol

C13H14N2O — CID 62757531

IUPAC[2-[(3-methylphenyl)methyl]pyrimidin-5-yl]methanol
SMILESCc1cccc(Cc2ncc(CO)cn2)c1
InChIInChI=1S/C13H14N2O/c1-10-3-2-4-11(5-10)6-13-14-7-12(9-16)8-15-13/h2-5,7-8,16H,6,9H2,1H3
InChIKeyDEEHLSRKZHNZFW-UHFFFAOYSA-N
MW214.27 g/mol
LogP1.87
Rot. Bonds3

About [2-[(3-methylphenyl)methyl]pyrimidin-5-yl]methanol

[2-[(3-methylphenyl)methyl]pyrimidin-5-yl]methanol (PubChem CID 62757531) has the molecular formula C13H14N2O and a molecular weight of 214.27 g/mol. Its IUPAC name is [2-[(3-methylphenyl)methyl]pyrimidin-5-yl]methanol.

Molecular Properties

Compound Name[2-[(3-methylphenyl)methyl]pyrimidin-5-yl]methanol
PubChem CID62757531
Molecular FormulaC13H14N2O
Molecular Weight214.27 g/mol
Exact Mass214.11
IUPAC Name[2-[(3-methylphenyl)methyl]pyrimidin-5-yl]methanol
SMILESCc1cccc(Cc2ncc(CO)cn2)c1
InChIInChI=1S/C13H14N2O/c1-10-3-2-4-11(5-10)6-13-14-7-12(9-16)8-15-13/h2-5,7-8,16H,6,9H2,1H3
InChIKeyDEEHLSRKZHNZFW-UHFFFAOYSA-N
XLogP1.87
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-[2-[(3-methylphenyl)methyl]pyrimidin-5-yl]methanamine
CID 62757123
2-methyl-N-[[2-[(3-methylphenyl)methyl]pyrimidin-5-yl]methyl]propan-1-amine
CID 62756426
5-chloro-2-[(3-methylphenyl)methyl]pyrimidine-4-carboxylic acid
CID 82168607
[2-[(4-fluorophenyl)methyl]pyrimidin-5-yl]methanol
CID 62757349
5-bromo-N-ethyl-2-[(3-methylphenyl)methyl]pyrimidin-4-amine
CID 66303082
[1-[(3-methylphenyl)methyl]pyrazol-4-yl]methanol
CID 62730723
2-[2-[(3-methylphenyl)methyl]-1,3-thiazol-5-yl]propan-1-ol
CID 115091382
N'-[5-[(3-methylphenyl)methyl]pyrimidin-2-yl]ethane-1,2-diamine
CID 117224131
[2-[(3-methoxyphenyl)methyl]-4-methylpyrimidin-5-yl]methanol
CID 114204972
1,2-dimethyl-4-[(3-methylphenyl)methyl]benzene
CID 20706895
1-iodo-3-[(3-methylphenyl)methyl]benzene
CID 155312038
5-methyl-4-[(3-methylphenyl)methyl]-1H-pyrazole
CID 69037485

Frequently Asked Questions

What is the IUPAC name of [2-[(3-methylphenyl)methyl]pyrimidin-5-yl]methanol?
The IUPAC name of [2-[(3-methylphenyl)methyl]pyrimidin-5-yl]methanol (CID 62757531) is [2-[(3-methylphenyl)methyl]pyrimidin-5-yl]methanol.
What is the SMILES notation for [2-[(3-methylphenyl)methyl]pyrimidin-5-yl]methanol?
The canonical SMILES for [2-[(3-methylphenyl)methyl]pyrimidin-5-yl]methanol is Cc1cccc(Cc2ncc(CO)cn2)c1.
What is the InChIKey of [2-[(3-methylphenyl)methyl]pyrimidin-5-yl]methanol?
The InChIKey is DEEHLSRKZHNZFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O/c1-10-3-2-4-11(5-10)6-13-14-7-12(9-16)8-15-13/h2-5,7-8,16H,6,9H2,1H3.
What are the key properties of [2-[(3-methylphenyl)methyl]pyrimidin-5-yl]methanol?
[2-[(3-methylphenyl)methyl]pyrimidin-5-yl]methanol has a molecular weight of 214.27 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3-methylphenyl)methyl]pyrimidin-5-yl]methanol is sourced from PubChem (CID 62757531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).