(4-methylphenyl)-pyrimidin-5-ylmethanol

C12H12N2O — CID 62491341

IUPAC(4-methylphenyl)-pyrimidin-5-ylmethanol
SMILESCc1ccc(C(O)c2cncnc2)cc1
InChIInChI=1S/C12H12N2O/c1-9-2-4-10(5-3-9)12(15)11-6-13-8-14-7-11/h2-8,12,15H,1H3
InChIKeyUXQHWAIVLJZCTJ-UHFFFAOYSA-N
MW200.24 g/mol
LogP1.87
Rot. Bonds2

About (4-methylphenyl)-pyrimidin-5-ylmethanol

(4-methylphenyl)-pyrimidin-5-ylmethanol (PubChem CID 62491341) has the molecular formula C12H12N2O and a molecular weight of 200.24 g/mol. Its IUPAC name is (4-methylphenyl)-pyrimidin-5-ylmethanol.

Molecular Properties

Compound Name(4-methylphenyl)-pyrimidin-5-ylmethanol
PubChem CID62491341
Molecular FormulaC12H12N2O
Molecular Weight200.24 g/mol
Exact Mass200.09
IUPAC Name(4-methylphenyl)-pyrimidin-5-ylmethanol
SMILESCc1ccc(C(O)c2cncnc2)cc1
InChIInChI=1S/C12H12N2O/c1-9-2-4-10(5-3-9)12(15)11-6-13-8-14-7-11/h2-8,12,15H,1H3
InChIKeyUXQHWAIVLJZCTJ-UHFFFAOYSA-N
XLogP1.87
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-methylphenyl)-pyridin-4-ylmethanol
CID 3383504
(4-methylphenyl)-[4-(4-methylphenyl)phenyl]methanol
CID 143325793
(4-chloro-3-methylphenyl)-pyrimidin-5-ylmethanol
CID 115781666
(3-fluoro-4-methylphenyl)-pyrimidin-5-ylmethanol
CID 62490525
(1S)-1-pyrimidin-5-ylethanol
CID 86316466
(2-fluoro-3-methylphenyl)-pyrimidin-5-ylmethanol
CID 115781644
(5-methyl-3-pyridinyl)-pyridin-4-ylmethanol
CID 115373622
(4-methylphenyl)-(5-methylpyrazin-2-yl)methanol
CID 105078243
(S)-(4-methylphenyl)-[4-(trifluoromethyl)phenyl]methanol
CID 822066
(3-bromo-2-methylphenyl)-pyrimidin-5-ylmethanol
CID 115781608
(4-ethylphenyl)-(5-methyl-3-pyridinyl)methanol
CID 115373656
[5-[hydroxy-(4-methylphenyl)methyl]-1H-pyrrol-2-yl]-(4-methylphenyl)methanol
CID 15297737

Frequently Asked Questions

What is the IUPAC name of (4-methylphenyl)-pyrimidin-5-ylmethanol?
The IUPAC name of (4-methylphenyl)-pyrimidin-5-ylmethanol (CID 62491341) is (4-methylphenyl)-pyrimidin-5-ylmethanol.
What is the SMILES notation for (4-methylphenyl)-pyrimidin-5-ylmethanol?
The canonical SMILES for (4-methylphenyl)-pyrimidin-5-ylmethanol is Cc1ccc(C(O)c2cncnc2)cc1.
What is the InChIKey of (4-methylphenyl)-pyrimidin-5-ylmethanol?
The InChIKey is UXQHWAIVLJZCTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O/c1-9-2-4-10(5-3-9)12(15)11-6-13-8-14-7-11/h2-8,12,15H,1H3.
What are the key properties of (4-methylphenyl)-pyrimidin-5-ylmethanol?
(4-methylphenyl)-pyrimidin-5-ylmethanol has a molecular weight of 200.24 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylphenyl)-pyrimidin-5-ylmethanol is sourced from PubChem (CID 62491341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).