[2-[(3,4-dichlorophenyl)methyl]-4-methylpyrimidin-5-yl]methanol

C13H12Cl2N2O — CID 114204957

IUPAC[2-[(3,4-dichlorophenyl)methyl]-4-methylpyrimidin-5-yl]methanol
SMILESCc1nc(Cc2ccc(Cl)c(Cl)c2)ncc1CO
InChIInChI=1S/C13H12Cl2N2O/c1-8-10(7-18)6-16-13(17-8)5-9-2-3-11(14)12(15)4-9/h2-4,6,18H,5,7H2,1H3
InChIKeyABOYQSQKRJKCSJ-UHFFFAOYSA-N
MW283.16 g/mol
LogP3.17
Rot. Bonds3

About [2-[(3,4-dichlorophenyl)methyl]-4-methylpyrimidin-5-yl]methanol

[2-[(3,4-dichlorophenyl)methyl]-4-methylpyrimidin-5-yl]methanol (PubChem CID 114204957) has the molecular formula C13H12Cl2N2O and a molecular weight of 283.16 g/mol. Its IUPAC name is [2-[(3,4-dichlorophenyl)methyl]-4-methylpyrimidin-5-yl]methanol.

Molecular Properties

Compound Name[2-[(3,4-dichlorophenyl)methyl]-4-methylpyrimidin-5-yl]methanol
PubChem CID114204957
Molecular FormulaC13H12Cl2N2O
Molecular Weight283.16 g/mol
Exact Mass282.03
IUPAC Name[2-[(3,4-dichlorophenyl)methyl]-4-methylpyrimidin-5-yl]methanol
SMILESCc1nc(Cc2ccc(Cl)c(Cl)c2)ncc1CO
InChIInChI=1S/C13H12Cl2N2O/c1-8-10(7-18)6-16-13(17-8)5-9-2-3-11(14)12(15)4-9/h2-4,6,18H,5,7H2,1H3
InChIKeyABOYQSQKRJKCSJ-UHFFFAOYSA-N
XLogP3.17
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.16
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[(dimethylamino)methyl]-4-methylpyrimidin-5-yl]methanol
CID 130482956
[2-(2,5-dichlorophenoxy)-4-methylpyrimidin-5-yl]methanol
CID 83184031
2-[(3,4-dichlorophenyl)methyl]pyrimidine-4-carboxylic acid
CID 55114826
6-[(3,4-dichlorophenyl)methyl]-1,3,5-triazine-2,4-diamine
CID 67332285
[2-[(4-methoxyphenyl)methoxy]-4-methylpyrimidin-5-yl]methanol
CID 83183786
[2-[(3,4-dimethylphenyl)methyl]pyrimidin-5-yl]methanol
CID 62904211
4,6-dichloro-2-[(3,4-dichlorophenyl)methyl]-5-ethylpyrimidine
CID 63611985
2-[(3,4-dichlorophenyl)methyl]-N,6-dimethylpyrimidin-4-amine
CID 62190533
[2-[(3,4-dichlorophenyl)methoxy]-3,4-dimethylphenyl]methanol
CID 97179315
4,6-dichloro-2-[(3,4-dichlorophenyl)methyl]-5-fluoropyrimidine
CID 80550415
5-bromo-4-chloro-2-[(3,4-dimethylphenyl)methyl]pyrimidine
CID 66294911
1-[3-[(3,4-dichlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanol
CID 63349689

Frequently Asked Questions

What is the IUPAC name of [2-[(3,4-dichlorophenyl)methyl]-4-methylpyrimidin-5-yl]methanol?
The IUPAC name of [2-[(3,4-dichlorophenyl)methyl]-4-methylpyrimidin-5-yl]methanol (CID 114204957) is [2-[(3,4-dichlorophenyl)methyl]-4-methylpyrimidin-5-yl]methanol.
What is the SMILES notation for [2-[(3,4-dichlorophenyl)methyl]-4-methylpyrimidin-5-yl]methanol?
The canonical SMILES for [2-[(3,4-dichlorophenyl)methyl]-4-methylpyrimidin-5-yl]methanol is Cc1nc(Cc2ccc(Cl)c(Cl)c2)ncc1CO.
What is the InChIKey of [2-[(3,4-dichlorophenyl)methyl]-4-methylpyrimidin-5-yl]methanol?
The InChIKey is ABOYQSQKRJKCSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2N2O/c1-8-10(7-18)6-16-13(17-8)5-9-2-3-11(14)12(15)4-9/h2-4,6,18H,5,7H2,1H3.
What are the key properties of [2-[(3,4-dichlorophenyl)methyl]-4-methylpyrimidin-5-yl]methanol?
[2-[(3,4-dichlorophenyl)methyl]-4-methylpyrimidin-5-yl]methanol has a molecular weight of 283.16 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3,4-dichlorophenyl)methyl]-4-methylpyrimidin-5-yl]methanol is sourced from PubChem (CID 114204957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).