2-(3-bromoanilino)-4-methyl-1H-pyrimidin-6-one

C11H10BrN3O — CID 135459599

IUPAC2-(3-bromoanilino)-4-methyl-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(Nc2cccc(Br)c2)n1
InChIInChI=1S/C11H10BrN3O/c1-7-5-10(16)15-11(13-7)14-9-4-2-3-8(12)6-9/h2-6H,1H3,(H2,13,14,15,16)
InChIKeySYSWGBQDFINSGW-UHFFFAOYSA-N
MW280.12 g/mol
LogP2.58
Rot. Bonds2

About 2-(3-bromoanilino)-4-methyl-1H-pyrimidin-6-one

2-(3-bromoanilino)-4-methyl-1H-pyrimidin-6-one (PubChem CID 135459599) has the molecular formula C11H10BrN3O and a molecular weight of 280.12 g/mol. Its IUPAC name is 2-(3-bromoanilino)-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(3-bromoanilino)-4-methyl-1H-pyrimidin-6-one
PubChem CID135459599
Molecular FormulaC11H10BrN3O
Molecular Weight280.12 g/mol
Exact Mass279.00
IUPAC Name2-(3-bromoanilino)-4-methyl-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(Nc2cccc(Br)c2)n1
InChIInChI=1S/C11H10BrN3O/c1-7-5-10(16)15-11(13-7)14-9-4-2-3-8(12)6-9/h2-6H,1H3,(H2,13,14,15,16)
InChIKeySYSWGBQDFINSGW-UHFFFAOYSA-N
XLogP2.58
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.12
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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-Bromo-phenylamino)-1H-pyrimidine-2,4-dione
CID 309876
N~2~-(3-bromophenyl)-6,6-dimethyl-1,6-dihydro-1,3,5-triazine-2,4-diamine
CID 752521
4-N-(3-bromophenyl)-1,3,5-triazaspiro[5.5]undeca-1,4-diene-2,4-diamine
CID 118464420
(3E)-1-(3-bromophenyl)-3-(1-methyl-4-oxoimidazolidin-2-ylidene)urea
CID 135525509
1,3,5-Triazine-2,4-diamine, N2-(4-bromophenyl)-3,6-dihydro-6,6-dimethyl-, hydrobromide (1:1)
CID 11948732
(3E)-1-(3-bromophenyl)-3-(1-methyl-4-oxo-1,3-diazinan-2-ylidene)urea
CID 136058486
2-[(3-fluorophenyl)amino]-6-methylpyrimidin-4(3H)-one
CID 135459606
5-HT2B antagonist-1
CID 2444014
1-(4-fluorophenyl)-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)guanidine
CID 135452283
2-[(2-fluorophenyl)amino]-6-propylpyrimidin-4(3H)-one
CID 135567364

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromoanilino)-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(3-bromoanilino)-4-methyl-1H-pyrimidin-6-one (CID 135459599) is 2-(3-bromoanilino)-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(3-bromoanilino)-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(3-bromoanilino)-4-methyl-1H-pyrimidin-6-one is Cc1cc(=O)[nH]c(Nc2cccc(Br)c2)n1.
What is the InChIKey of 2-(3-bromoanilino)-4-methyl-1H-pyrimidin-6-one?
The InChIKey is SYSWGBQDFINSGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrN3O/c1-7-5-10(16)15-11(13-7)14-9-4-2-3-8(12)6-9/h2-6H,1H3,(H2,13,14,15,16).
What are the key properties of 2-(3-bromoanilino)-4-methyl-1H-pyrimidin-6-one?
2-(3-bromoanilino)-4-methyl-1H-pyrimidin-6-one has a molecular weight of 280.12 g/mol, XLogP of 2.58, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromoanilino)-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135459599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).