(4-chlorophenyl)-(4,6-dimethoxypyrimidin-2-yl)methanone

C13H11ClN2O3 — CID 708347

IUPAC(4-chlorophenyl)-(4,6-dimethoxypyrimidin-2-yl)methanone
SMILESCOc1cc(OC)nc(C(=O)c2ccc(Cl)cc2)n1
InChIInChI=1S/C13H11ClN2O3/c1-18-10-7-11(19-2)16-13(15-10)12(17)8-3-5-9(14)6-4-8/h3-7H,1-2H3
InChIKeyLPYUBFXOYRJZCD-UHFFFAOYSA-N
MW278.70 g/mol
LogP2.38
Rot. Bonds4

About (4-chlorophenyl)-(4,6-dimethoxypyrimidin-2-yl)methanone

(4-chlorophenyl)-(4,6-dimethoxypyrimidin-2-yl)methanone (PubChem CID 708347) has the molecular formula C13H11ClN2O3 and a molecular weight of 278.70 g/mol. Its IUPAC name is (4-chlorophenyl)-(4,6-dimethoxypyrimidin-2-yl)methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-(4,6-dimethoxypyrimidin-2-yl)methanone
PubChem CID708347
Molecular FormulaC13H11ClN2O3
Molecular Weight278.70 g/mol
Exact Mass278.05
IUPAC Name(4-chlorophenyl)-(4,6-dimethoxypyrimidin-2-yl)methanone
SMILESCOc1cc(OC)nc(C(=O)c2ccc(Cl)cc2)n1
InChIInChI=1S/C13H11ClN2O3/c1-18-10-7-11(19-2)16-13(15-10)12(17)8-3-5-9(14)6-4-8/h3-7H,1-2H3
InChIKeyLPYUBFXOYRJZCD-UHFFFAOYSA-N
XLogP2.38
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.70
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-chloro-2-(4,6-dimethoxypyrimidine-2-carbonyl)-3-fluorobenzoic acid;propan-2-amine
CID 67735937
(3-amino-6-methoxy-4-methylfuro[2,3-b]pyridin-2-yl)-(4-chlorophenyl)methanone
CID 50896332
(2-amino-3-fluorophenyl)-(4,6-dimethoxypyrimidin-2-yl)methanone
CID 67350239
N-[2-chloro-6-(4,6-dimethoxypyrimidine-2-carbonyl)phenyl]acetamide
CID 67133377
5-chloro-2-(4,6-dimethoxypyrimidin-2-yl)sulfanylbenzoic acid
CID 14601113
1-tert-butyl-1-[(4-chlorobenzoyl)amino]-3-(4,6-dimethoxypyrimidin-2-yl)urea
CID 140969445
(4-chlorophenyl)-(3-fluoro-4-methoxyphenyl)methanone
CID 2757552
4-chloro-2-(4,6-dimethoxypyrimidin-2-yl)oxybenzoic acid
CID 15611931
(4,6-dimethoxypyrimidin-2-yl) methyl carbonate
CID 67674533
(4-chlorophenyl)-(3-methoxypyrazin-2-yl)methanone
CID 104514841
(3,4-dichlorophenyl)-(4-methoxyphenyl)methanone
CID 2758123
2-(4-chloroanilino)-N-(4,6-dimethoxypyrimidin-2-yl)-2-sulfanylideneacetamide
CID 10269459

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-(4,6-dimethoxypyrimidin-2-yl)methanone?
The IUPAC name of (4-chlorophenyl)-(4,6-dimethoxypyrimidin-2-yl)methanone (CID 708347) is (4-chlorophenyl)-(4,6-dimethoxypyrimidin-2-yl)methanone.
What is the SMILES notation for (4-chlorophenyl)-(4,6-dimethoxypyrimidin-2-yl)methanone?
The canonical SMILES for (4-chlorophenyl)-(4,6-dimethoxypyrimidin-2-yl)methanone is COc1cc(OC)nc(C(=O)c2ccc(Cl)cc2)n1.
What is the InChIKey of (4-chlorophenyl)-(4,6-dimethoxypyrimidin-2-yl)methanone?
The InChIKey is LPYUBFXOYRJZCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2O3/c1-18-10-7-11(19-2)16-13(15-10)12(17)8-3-5-9(14)6-4-8/h3-7H,1-2H3.
What are the key properties of (4-chlorophenyl)-(4,6-dimethoxypyrimidin-2-yl)methanone?
(4-chlorophenyl)-(4,6-dimethoxypyrimidin-2-yl)methanone has a molecular weight of 278.70 g/mol, XLogP of 2.38, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-(4,6-dimethoxypyrimidin-2-yl)methanone is sourced from PubChem (CID 708347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).