2-amino-5-(3-chloroanilino)-1H-pyrimidin-6-one

C10H9ClN4O — CID 91621942

IUPAC2-amino-5-(3-chloroanilino)-1H-pyrimidin-6-one
SMILESNc1ncc(Nc2cccc(Cl)c2)c(=O)[nH]1
InChIInChI=1S/C10H9ClN4O/c11-6-2-1-3-7(4-6)14-8-5-13-10(12)15-9(8)16/h1-5,14H,(H3,12,13,15,16)
InChIKeySDYAINIEYIJQLE-UHFFFAOYSA-N
MW236.66 g/mol
LogP1.75
Rot. Bonds2

About 2-amino-5-(3-chloroanilino)-1H-pyrimidin-6-one

2-amino-5-(3-chloroanilino)-1H-pyrimidin-6-one (PubChem CID 91621942) has the molecular formula C10H9ClN4O and a molecular weight of 236.66 g/mol. Its IUPAC name is 2-amino-5-(3-chloroanilino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-amino-5-(3-chloroanilino)-1H-pyrimidin-6-one
PubChem CID91621942
Molecular FormulaC10H9ClN4O
Molecular Weight236.66 g/mol
Exact Mass236.05
IUPAC Name2-amino-5-(3-chloroanilino)-1H-pyrimidin-6-one
SMILESNc1ncc(Nc2cccc(Cl)c2)c(=O)[nH]1
InChIInChI=1S/C10H9ClN4O/c11-6-2-1-3-7(4-6)14-8-5-13-10(12)15-9(8)16/h1-5,14H,(H3,12,13,15,16)
InChIKeySDYAINIEYIJQLE-UHFFFAOYSA-N
XLogP1.75
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.66
LogP ≤ 51.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(3-chlorophenyl)-1H-pyrazole-4,5-diamine
CID 57126804
6-(3-chloroanilino)-1H-pyrimidin-2-one
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methyl 2-amino-5-(3-chloroanilino)pyridine-4-carboxylate
CID 114194731
6-(3-chloroanilino)-1,3-dihydroimidazo[4,5-b]pyridin-2-one
CID 57113380
2-amino-5-(2,4-dichlorophenyl)sulfanyl-1H-pyrimidin-6-one
CID 70116015
9-(3-chloroanilino)-5H-furo[3,2-c][1,8]naphthyridin-4-one
CID 58564245
5-chloro-N-(3-chlorophenyl)pyridin-2-amine
CID 66217838
2-amino-3-(3-chloroanilino)benzamide
CID 113332446
6-N-(3-chlorophenyl)-4-N-(3,5-dichlorophenyl)pyrimidine-4,5,6-triamine
CID 22544979
4-(5-amino-3-pyridinyl)-N-(3-chlorophenyl)pyrimidin-5-amine
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N-[4-(3-chloroanilino)-1H-pyrazol-5-yl]methanesulfonamide
CID 57244208
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CID 135468318

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(3-chloroanilino)-1H-pyrimidin-6-one?
The IUPAC name of 2-amino-5-(3-chloroanilino)-1H-pyrimidin-6-one (CID 91621942) is 2-amino-5-(3-chloroanilino)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-amino-5-(3-chloroanilino)-1H-pyrimidin-6-one?
The canonical SMILES for 2-amino-5-(3-chloroanilino)-1H-pyrimidin-6-one is Nc1ncc(Nc2cccc(Cl)c2)c(=O)[nH]1.
What is the InChIKey of 2-amino-5-(3-chloroanilino)-1H-pyrimidin-6-one?
The InChIKey is SDYAINIEYIJQLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN4O/c11-6-2-1-3-7(4-6)14-8-5-13-10(12)15-9(8)16/h1-5,14H,(H3,12,13,15,16).
What are the key properties of 2-amino-5-(3-chloroanilino)-1H-pyrimidin-6-one?
2-amino-5-(3-chloroanilino)-1H-pyrimidin-6-one has a molecular weight of 236.66 g/mol, XLogP of 1.75, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(3-chloroanilino)-1H-pyrimidin-6-one is sourced from PubChem (CID 91621942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).