(2-hydroxyphenyl)-pyrimidin-4-ylmethanone

C11H8N2O2 — CID 173459739

IUPAC(2-hydroxyphenyl)-pyrimidin-4-ylmethanone
SMILESO=C(c1ccncn1)c1ccccc1O
InChIInChI=1S/C11H8N2O2/c14-10-4-2-1-3-8(10)11(15)9-5-6-12-7-13-9/h1-7,14H
InChIKeyTZVCMURQRYYQPD-UHFFFAOYSA-N
MW200.20 g/mol
LogP1.41
Rot. Bonds2

About (2-hydroxyphenyl)-pyrimidin-4-ylmethanone

(2-hydroxyphenyl)-pyrimidin-4-ylmethanone (PubChem CID 173459739) has the molecular formula C11H8N2O2 and a molecular weight of 200.20 g/mol. Its IUPAC name is (2-hydroxyphenyl)-pyrimidin-4-ylmethanone.

Molecular Properties

Compound Name(2-hydroxyphenyl)-pyrimidin-4-ylmethanone
PubChem CID173459739
Molecular FormulaC11H8N2O2
Molecular Weight200.20 g/mol
Exact Mass200.06
IUPAC Name(2-hydroxyphenyl)-pyrimidin-4-ylmethanone
SMILESO=C(c1ccncn1)c1ccccc1O
InChIInChI=1S/C11H8N2O2/c14-10-4-2-1-3-8(10)11(15)9-5-6-12-7-13-9/h1-7,14H
InChIKeyTZVCMURQRYYQPD-UHFFFAOYSA-N
XLogP1.41
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.20
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

anthracen-1-yl(pyrimidin-4-yl)methanone
CID 173459735
pyrimidin-4-yl(quinolin-5-yl)methanone
CID 81220260
isoquinolin-8-yl(pyrimidin-4-yl)methanone
CID 103143293
methyl 2-hydroxybenzoate;pyrimidine
CID 157250950
(3-methylphenyl)-pyrimidin-4-ylmethanone
CID 63989761
(5-chloro-2-methoxyphenyl)-pyrimidin-4-ylmethanone
CID 63988733
ethane;pyrimidine-4-carboxamide
CID 167507901
(2-amino-3-hydroxyphenyl)-pyridin-2-ylmethanone
CID 118841909
benzoic acid;pyrimidine-4-carboxamide
CID 174949341
(1-methylpyrazol-3-yl)-pyrimidin-4-ylmethanone
CID 103130393
3-phenyl-1-pyrimidin-4-ylpropan-1-one
CID 63989966
2-methyl-1-pyrimidin-4-ylprop-2-en-1-one
CID 79189821

Frequently Asked Questions

What is the IUPAC name of (2-hydroxyphenyl)-pyrimidin-4-ylmethanone?
The IUPAC name of (2-hydroxyphenyl)-pyrimidin-4-ylmethanone (CID 173459739) is (2-hydroxyphenyl)-pyrimidin-4-ylmethanone.
What is the SMILES notation for (2-hydroxyphenyl)-pyrimidin-4-ylmethanone?
The canonical SMILES for (2-hydroxyphenyl)-pyrimidin-4-ylmethanone is O=C(c1ccncn1)c1ccccc1O.
What is the InChIKey of (2-hydroxyphenyl)-pyrimidin-4-ylmethanone?
The InChIKey is TZVCMURQRYYQPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2O2/c14-10-4-2-1-3-8(10)11(15)9-5-6-12-7-13-9/h1-7,14H.
What are the key properties of (2-hydroxyphenyl)-pyrimidin-4-ylmethanone?
(2-hydroxyphenyl)-pyrimidin-4-ylmethanone has a molecular weight of 200.20 g/mol, XLogP of 1.41, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxyphenyl)-pyrimidin-4-ylmethanone is sourced from PubChem (CID 173459739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).