1-[2-[(4-methoxyphenyl)methyl]-4-methylpyrimidin-5-yl]ethanol

C15H18N2O2 — CID 62770507

IUPAC1-[2-[(4-methoxyphenyl)methyl]-4-methylpyrimidin-5-yl]ethanol
SMILESCOc1ccc(Cc2ncc(C(C)O)c(C)n2)cc1
InChIInChI=1S/C15H18N2O2/c1-10-14(11(2)18)9-16-15(17-10)8-12-4-6-13(19-3)7-5-12/h4-7,9,11,18H,8H2,1-3H3
InChIKeyRMJMOGQKOGWBLR-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.44
Rot. Bonds4

About 1-[2-[(4-methoxyphenyl)methyl]-4-methylpyrimidin-5-yl]ethanol

1-[2-[(4-methoxyphenyl)methyl]-4-methylpyrimidin-5-yl]ethanol (PubChem CID 62770507) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 1-[2-[(4-methoxyphenyl)methyl]-4-methylpyrimidin-5-yl]ethanol.

Molecular Properties

Compound Name1-[2-[(4-methoxyphenyl)methyl]-4-methylpyrimidin-5-yl]ethanol
PubChem CID62770507
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name1-[2-[(4-methoxyphenyl)methyl]-4-methylpyrimidin-5-yl]ethanol
SMILESCOc1ccc(Cc2ncc(C(C)O)c(C)n2)cc1
InChIInChI=1S/C15H18N2O2/c1-10-14(11(2)18)9-16-15(17-10)8-12-4-6-13(19-3)7-5-12/h4-7,9,11,18H,8H2,1-3H3
InChIKeyRMJMOGQKOGWBLR-UHFFFAOYSA-N
XLogP2.44
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-1-[2-[(3,5-dimethylphenyl)methyl]-4-methylpyrimidin-5-yl]ethanol
CID 103431528
(1S)-1-[4-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidin-5-yl]ethanol
CID 94607488
(1S)-1-[2-(3-methoxypropyl)-4-methylpyrimidin-5-yl]ethanol
CID 103431529
(1S)-1-[2-[(2-fluorophenyl)methyl]-4-methylpyrimidin-5-yl]ethanol
CID 103431425
2-benzyl-5-(1-chloroethyl)-4-methylpyrimidine
CID 55112679
1-[6-(4-methoxyphenyl)-2-methyl-3-pyridinyl]ethanol
CID 66490069
5-bromo-2-[(4-methoxyphenyl)methyl]pyrimidin-4-amine
CID 66303664
[2-[(3-methoxyphenyl)methyl]-4-methylpyrimidin-5-yl]methanol
CID 114204972
1-[2-[(3-chloro-2-fluorophenyl)methyl]-4-methylpyrimidin-5-yl]ethanol
CID 82806358
(1R)-1-[2-[(3-chloro-2-fluorophenyl)methyl]-4-methylpyrimidin-5-yl]ethanol
CID 103431246
5-chloro-2-[(4-methoxyphenyl)methyl]pyrimidine-4-carboxylic acid
CID 82168616
2-[2-[(4-methoxyphenyl)methyl]-4,6-dimethylpyrimidin-5-yl]acetic acid
CID 61373629

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(4-methoxyphenyl)methyl]-4-methylpyrimidin-5-yl]ethanol?
The IUPAC name of 1-[2-[(4-methoxyphenyl)methyl]-4-methylpyrimidin-5-yl]ethanol (CID 62770507) is 1-[2-[(4-methoxyphenyl)methyl]-4-methylpyrimidin-5-yl]ethanol.
What is the SMILES notation for 1-[2-[(4-methoxyphenyl)methyl]-4-methylpyrimidin-5-yl]ethanol?
The canonical SMILES for 1-[2-[(4-methoxyphenyl)methyl]-4-methylpyrimidin-5-yl]ethanol is COc1ccc(Cc2ncc(C(C)O)c(C)n2)cc1.
What is the InChIKey of 1-[2-[(4-methoxyphenyl)methyl]-4-methylpyrimidin-5-yl]ethanol?
The InChIKey is RMJMOGQKOGWBLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-10-14(11(2)18)9-16-15(17-10)8-12-4-6-13(19-3)7-5-12/h4-7,9,11,18H,8H2,1-3H3.
What are the key properties of 1-[2-[(4-methoxyphenyl)methyl]-4-methylpyrimidin-5-yl]ethanol?
1-[2-[(4-methoxyphenyl)methyl]-4-methylpyrimidin-5-yl]ethanol has a molecular weight of 258.32 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(4-methoxyphenyl)methyl]-4-methylpyrimidin-5-yl]ethanol is sourced from PubChem (CID 62770507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).