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

C15H18N2O — CID 62770681

IUPAC1-[4-methyl-2-[(2-methylphenyl)methyl]pyrimidin-5-yl]ethanol
SMILESCc1ccccc1Cc1ncc(C(C)O)c(C)n1
InChIInChI=1S/C15H18N2O/c1-10-6-4-5-7-13(10)8-15-16-9-14(12(3)18)11(2)17-15/h4-7,9,12,18H,8H2,1-3H3
InChIKeyAYAWCZXKYSDIFU-UHFFFAOYSA-N
MW242.32 g/mol
LogP2.74
Rot. Bonds3

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

1-[4-methyl-2-[(2-methylphenyl)methyl]pyrimidin-5-yl]ethanol (PubChem CID 62770681) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 1-[4-methyl-2-[(2-methylphenyl)methyl]pyrimidin-5-yl]ethanol.

Molecular Properties

Compound Name1-[4-methyl-2-[(2-methylphenyl)methyl]pyrimidin-5-yl]ethanol
PubChem CID62770681
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name1-[4-methyl-2-[(2-methylphenyl)methyl]pyrimidin-5-yl]ethanol
SMILESCc1ccccc1Cc1ncc(C(C)O)c(C)n1
InChIInChI=1S/C15H18N2O/c1-10-6-4-5-7-13(10)8-15-16-9-14(12(3)18)11(2)17-15/h4-7,9,12,18H,8H2,1-3H3
InChIKeyAYAWCZXKYSDIFU-UHFFFAOYSA-N
XLogP2.74
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-methyl-2-[(2-methylphenyl)methyl]pyrimidin-5-yl]ethanol?
The IUPAC name of 1-[4-methyl-2-[(2-methylphenyl)methyl]pyrimidin-5-yl]ethanol (CID 62770681) is 1-[4-methyl-2-[(2-methylphenyl)methyl]pyrimidin-5-yl]ethanol.
What is the SMILES notation for 1-[4-methyl-2-[(2-methylphenyl)methyl]pyrimidin-5-yl]ethanol?
The canonical SMILES for 1-[4-methyl-2-[(2-methylphenyl)methyl]pyrimidin-5-yl]ethanol is Cc1ccccc1Cc1ncc(C(C)O)c(C)n1.
What is the InChIKey of 1-[4-methyl-2-[(2-methylphenyl)methyl]pyrimidin-5-yl]ethanol?
The InChIKey is AYAWCZXKYSDIFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-10-6-4-5-7-13(10)8-15-16-9-14(12(3)18)11(2)17-15/h4-7,9,12,18H,8H2,1-3H3.
What are the key properties of 1-[4-methyl-2-[(2-methylphenyl)methyl]pyrimidin-5-yl]ethanol?
1-[4-methyl-2-[(2-methylphenyl)methyl]pyrimidin-5-yl]ethanol has a molecular weight of 242.32 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methyl-2-[(2-methylphenyl)methyl]pyrimidin-5-yl]ethanol is sourced from PubChem (CID 62770681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).