2-(4-chloroanilino)-4-methyl-1H-pyrimidin-6-one

C11H10ClN3O — CID 135488566

IUPAC2-(4-chloroanilino)-4-methyl-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(Nc2ccc(Cl)cc2)n1
InChIInChI=1S/C11H10ClN3O/c1-7-6-10(16)15-11(13-7)14-9-4-2-8(12)3-5-9/h2-6H,1H3,(H2,13,14,15,16)
InChIKeyMQNMXTIYBFYKRL-UHFFFAOYSA-N
MW235.67 g/mol
LogP2.48
Rot. Bonds2

About 2-(4-chloroanilino)-4-methyl-1H-pyrimidin-6-one

2-(4-chloroanilino)-4-methyl-1H-pyrimidin-6-one (PubChem CID 135488566) has the molecular formula C11H10ClN3O and a molecular weight of 235.67 g/mol. Its IUPAC name is 2-(4-chloroanilino)-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(4-chloroanilino)-4-methyl-1H-pyrimidin-6-one
PubChem CID135488566
Molecular FormulaC11H10ClN3O
Molecular Weight235.67 g/mol
Exact Mass235.05
IUPAC Name2-(4-chloroanilino)-4-methyl-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(Nc2ccc(Cl)cc2)n1
InChIInChI=1S/C11H10ClN3O/c1-7-6-10(16)15-11(13-7)14-9-4-2-8(12)3-5-9/h2-6H,1H3,(H2,13,14,15,16)
InChIKeyMQNMXTIYBFYKRL-UHFFFAOYSA-N
XLogP2.48
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.67
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Guanidine, 1-(p-chlorophenyl)-3-(4-hydroxy-6-methyl-2-pyrimidinyl)-
CID 135408788
3-(4-chlorophenyl)-6-methyl-2,4(1H,3H)-pyrimidinedione
CID 3454747
2-(4-(4-Chlorophenyl)-1-piperazinyl)-5,6-dimethyl-4(3H)-pyrimidinone
CID 135491366
N-(1,6-Dihydro-4-methyl-6-oxo-2-pyrimidinyl)-N'-phenylguanidine
CID 135495567
2-N-Anilino-4-hydroxy-6-methylpyrimidine
CID 135416215
6-(4-Chloro-phenylamino)-1H-pyrimidine-2,4-dione
CID 308646
6-(4-Chloroanilino)-1,3-dimethylpyrimidine-2,4-dione
CID 777117
4-(4-Chloroanilino)-6-hydroxy-2-methyl-5-pyrimidinecarbonitrile
CID 135442069
2-[(4-chlorophenyl)amino]-6-propylpyrimidin-4(3H)-one
CID 135472778
2-[4-(4-chlorophenyl)piperazin-1-yl]-5-ethyl-6-methylpyrimidin-4(3H)-one
CID 135491328
(4-Amino-1,3,5-triazaspiro[5.5]undeca-2,4-dien-2-yl)(4-chlorophenyl)amine
CID 4148445
6-(4-chloroanilino)-3-methyl-2,4(1H,3H)-pyrimidinedione
CID 777252

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloroanilino)-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(4-chloroanilino)-4-methyl-1H-pyrimidin-6-one (CID 135488566) is 2-(4-chloroanilino)-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(4-chloroanilino)-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(4-chloroanilino)-4-methyl-1H-pyrimidin-6-one is Cc1cc(=O)[nH]c(Nc2ccc(Cl)cc2)n1.
What is the InChIKey of 2-(4-chloroanilino)-4-methyl-1H-pyrimidin-6-one?
The InChIKey is MQNMXTIYBFYKRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3O/c1-7-6-10(16)15-11(13-7)14-9-4-2-8(12)3-5-9/h2-6H,1H3,(H2,13,14,15,16).
What are the key properties of 2-(4-chloroanilino)-4-methyl-1H-pyrimidin-6-one?
2-(4-chloroanilino)-4-methyl-1H-pyrimidin-6-one has a molecular weight of 235.67 g/mol, XLogP of 2.48, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloroanilino)-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135488566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).