6-(3-chloroanilino)-1H-pyrimidin-2-one

C10H8ClN3O — CID 613314

IUPAC6-(3-chloroanilino)-1H-pyrimidin-2-one
SMILESO=c1nccc(Nc2cccc(Cl)c2)[nH]1
InChIInChI=1S/C10H8ClN3O/c11-7-2-1-3-8(6-7)13-9-4-5-12-10(15)14-9/h1-6H,(H2,12,13,14,15)
InChIKeyRLVKWVOOOUTNMW-UHFFFAOYSA-N
MW221.65 g/mol
LogP2.17
Rot. Bonds2

About 6-(3-chloroanilino)-1H-pyrimidin-2-one

6-(3-chloroanilino)-1H-pyrimidin-2-one (PubChem CID 613314) has the molecular formula C10H8ClN3O and a molecular weight of 221.65 g/mol. Its IUPAC name is 6-(3-chloroanilino)-1H-pyrimidin-2-one.

Molecular Properties

Compound Name6-(3-chloroanilino)-1H-pyrimidin-2-one
PubChem CID613314
Molecular FormulaC10H8ClN3O
Molecular Weight221.65 g/mol
Exact Mass221.04
IUPAC Name6-(3-chloroanilino)-1H-pyrimidin-2-one
SMILESO=c1nccc(Nc2cccc(Cl)c2)[nH]1
InChIInChI=1S/C10H8ClN3O/c11-7-2-1-3-8(6-7)13-9-4-5-12-10(15)14-9/h1-6H,(H2,12,13,14,15)
InChIKeyRLVKWVOOOUTNMW-UHFFFAOYSA-N
XLogP2.17
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.65
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 86236330
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6-(3-chloroanilino)-1,3-dihydroimidazo[4,5-b]pyridin-2-one
CID 57113380
9-(3-chloroanilino)-5H-furo[3,2-c][1,8]naphthyridin-4-one
CID 58564245
3-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(2-oxo-1H-pyrimidin-6-yl)benzamide
CID 108804643
(2-oxo-1H-pyrimidin-6-yl)sulfamic acid
CID 66830786
2-(3-chloroanilino)pyrimidine-4-carbothioamide
CID 107546376
5-chloro-N-(3-chlorophenyl)pyridin-2-amine
CID 66217838
6-tert-butyl-3-(3-chloroanilino)-4H-1,2,4-triazin-5-one
CID 135468318
6-(quinazolin-2-ylamino)-1H-pyrimidin-2-one
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N-(3-chlorophenyl)-1-methylimidazol-2-amine
CID 68890475
N-(3-chlorophenyl)-3-pyrazol-1-ylaniline
CID 162634741

Frequently Asked Questions

What is the IUPAC name of 6-(3-chloroanilino)-1H-pyrimidin-2-one?
The IUPAC name of 6-(3-chloroanilino)-1H-pyrimidin-2-one (CID 613314) is 6-(3-chloroanilino)-1H-pyrimidin-2-one.
What is the SMILES notation for 6-(3-chloroanilino)-1H-pyrimidin-2-one?
The canonical SMILES for 6-(3-chloroanilino)-1H-pyrimidin-2-one is O=c1nccc(Nc2cccc(Cl)c2)[nH]1.
What is the InChIKey of 6-(3-chloroanilino)-1H-pyrimidin-2-one?
The InChIKey is RLVKWVOOOUTNMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClN3O/c11-7-2-1-3-8(6-7)13-9-4-5-12-10(15)14-9/h1-6H,(H2,12,13,14,15).
What are the key properties of 6-(3-chloroanilino)-1H-pyrimidin-2-one?
6-(3-chloroanilino)-1H-pyrimidin-2-one has a molecular weight of 221.65 g/mol, XLogP of 2.17, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-chloroanilino)-1H-pyrimidin-2-one is sourced from PubChem (CID 613314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).