2-(2-bromoanilino)-4-(4-methoxyphenyl)-1H-pyrimidin-6-one

C17H14BrN3O2 — CID 136741078

IUPAC2-(2-bromoanilino)-4-(4-methoxyphenyl)-1H-pyrimidin-6-one
SMILESCOc1ccc(-c2cc(=O)[nH]c(Nc3ccccc3Br)n2)cc1
InChIInChI=1S/C17H14BrN3O2/c1-23-12-8-6-11(7-9-12)15-10-16(22)21-17(20-15)19-14-5-3-2-4-13(14)18/h2-10H,1H3,(H2,19,20,21,22)
InChIKeyBKPCOYIGYHJPJU-UHFFFAOYSA-N
MW372.22 g/mol
LogP3.95
Rot. Bonds4

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

2-(2-bromoanilino)-4-(4-methoxyphenyl)-1H-pyrimidin-6-one (PubChem CID 136741078) has the molecular formula C17H14BrN3O2 and a molecular weight of 372.22 g/mol. Its IUPAC name is 2-(2-bromoanilino)-4-(4-methoxyphenyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(2-bromoanilino)-4-(4-methoxyphenyl)-1H-pyrimidin-6-one
PubChem CID136741078
Molecular FormulaC17H14BrN3O2
Molecular Weight372.22 g/mol
Exact Mass371.03
IUPAC Name2-(2-bromoanilino)-4-(4-methoxyphenyl)-1H-pyrimidin-6-one
SMILESCOc1ccc(-c2cc(=O)[nH]c(Nc3ccccc3Br)n2)cc1
InChIInChI=1S/C17H14BrN3O2/c1-23-12-8-6-11(7-9-12)15-10-16(22)21-17(20-15)19-14-5-3-2-4-13(14)18/h2-10H,1H3,(H2,19,20,21,22)
InChIKeyBKPCOYIGYHJPJU-UHFFFAOYSA-N
XLogP3.95
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.22
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-methoxyphenyl)-2-(naphthalen-1-ylamino)-1H-pyrimidin-6-one
CID 136778881
2-(4-ethoxyanilino)-4-(4-methoxyphenyl)-1H-pyrimidin-6-one
CID 135727215
N-[4-(4-methoxyphenyl)-6-oxo-1H-pyrimidin-2-yl]nitramide
CID 136740741
4-(4-methoxyphenyl)-2-[4-(trifluoromethyl)anilino]-1H-pyrimidin-6-one
CID 136741173
2-(4-bromo-2-fluoroanilino)-4-(3-methoxyphenyl)-1H-pyrimidin-6-one
CID 136741066
2-anilino-4-(3-methoxyphenyl)-1H-pyrimidin-6-one
CID 135645510
2-(4-chloro-2,5-dimethoxyanilino)-4-phenyl-1H-pyrimidin-6-one
CID 136778551
4-(4-methoxyphenyl)-2-[1-(4-methoxyphenyl)ethylamino]-1H-pyrimidin-6-one
CID 136780123
2-[(6-chloro-4-phenylquinazolin-2-yl)amino]-4-(4-methoxyphenyl)-1H-pyrimidin-6-one
CID 135587487
4-(4-methoxyphenyl)-2-[(2Z)-2-(pyridin-2-ylmethylidene)hydrazinyl]-1H-pyrimidin-6-one
CID 136788409
2-(3-bromoanilino)-4-phenyl-1H-pyrimidin-6-one
CID 135773852
4-(4-methoxyphenyl)-2-methylsulfanyl-1H-pyrimidin-6-one
CID 135682232

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromoanilino)-4-(4-methoxyphenyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-(2-bromoanilino)-4-(4-methoxyphenyl)-1H-pyrimidin-6-one (CID 136741078) is 2-(2-bromoanilino)-4-(4-methoxyphenyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(2-bromoanilino)-4-(4-methoxyphenyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-(2-bromoanilino)-4-(4-methoxyphenyl)-1H-pyrimidin-6-one is COc1ccc(-c2cc(=O)[nH]c(Nc3ccccc3Br)n2)cc1.
What is the InChIKey of 2-(2-bromoanilino)-4-(4-methoxyphenyl)-1H-pyrimidin-6-one?
The InChIKey is BKPCOYIGYHJPJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrN3O2/c1-23-12-8-6-11(7-9-12)15-10-16(22)21-17(20-15)19-14-5-3-2-4-13(14)18/h2-10H,1H3,(H2,19,20,21,22).
What are the key properties of 2-(2-bromoanilino)-4-(4-methoxyphenyl)-1H-pyrimidin-6-one?
2-(2-bromoanilino)-4-(4-methoxyphenyl)-1H-pyrimidin-6-one has a molecular weight of 372.22 g/mol, XLogP of 3.95, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromoanilino)-4-(4-methoxyphenyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136741078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).