4-(2-bromoanilino)-5-chloro-1H-pyrimidin-6-one

C10H7BrClN3O — CID 136970599

IUPAC4-(2-bromoanilino)-5-chloro-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(Nc2ccccc2Br)c1Cl
InChIInChI=1S/C10H7BrClN3O/c11-6-3-1-2-4-7(6)15-9-8(12)10(16)14-5-13-9/h1-5H,(H2,13,14,15,16)
InChIKeyRPRJUJNCGJCEHR-UHFFFAOYSA-N
MW300.54 g/mol
LogP2.93
Rot. Bonds2

About 4-(2-bromoanilino)-5-chloro-1H-pyrimidin-6-one

4-(2-bromoanilino)-5-chloro-1H-pyrimidin-6-one (PubChem CID 136970599) has the molecular formula C10H7BrClN3O and a molecular weight of 300.54 g/mol. Its IUPAC name is 4-(2-bromoanilino)-5-chloro-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(2-bromoanilino)-5-chloro-1H-pyrimidin-6-one
PubChem CID136970599
Molecular FormulaC10H7BrClN3O
Molecular Weight300.54 g/mol
Exact Mass298.95
IUPAC Name4-(2-bromoanilino)-5-chloro-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(Nc2ccccc2Br)c1Cl
InChIInChI=1S/C10H7BrClN3O/c11-6-3-1-2-4-7(6)15-9-8(12)10(16)14-5-13-9/h1-5H,(H2,13,14,15,16)
InChIKeyRPRJUJNCGJCEHR-UHFFFAOYSA-N
XLogP2.93
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.54
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-bromo-5-fluoroanilino)-5-chloro-1H-pyrimidin-6-one
CID 136734169
5-chloro-4-(2-methoxyanilino)-1H-pyrimidin-6-one
CID 136970500
5-chloro-4-[2-(difluoromethylsulfanyl)anilino]-1H-pyrimidin-6-one
CID 136970449
5-chloro-4-(5-chloro-2-fluoroanilino)-1H-pyrimidin-6-one
CID 136970766
5-chloro-4-(4-chloro-2-fluoroanilino)-1H-pyrimidin-6-one
CID 136971034
5-chloro-4-(2,4,5-trifluoroanilino)-1H-pyrimidin-6-one
CID 136971242
5-chloro-4-(3-methylanilino)-1H-pyrimidin-6-one
CID 136970384
5-chloro-4-[(2,6-dimethyl-3-pyridinyl)amino]-1H-pyrimidin-6-one
CID 136971427
5-chloro-4-(1,2,3,4-tetrahydroisoquinolin-5-ylamino)-1H-pyrimidin-6-one
CID 136978814
N-(2-bromophenyl)-2-chloro-7H-purin-6-amine
CID 25168953
5-chloro-4-(2-fluoro-5-methylanilino)-1H-pyrimidin-6-one
CID 136970408
5-chloro-4-(5-chloro-2-methoxyanilino)-1H-pyrimidin-6-one
CID 136970535

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromoanilino)-5-chloro-1H-pyrimidin-6-one?
The IUPAC name of 4-(2-bromoanilino)-5-chloro-1H-pyrimidin-6-one (CID 136970599) is 4-(2-bromoanilino)-5-chloro-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(2-bromoanilino)-5-chloro-1H-pyrimidin-6-one?
The canonical SMILES for 4-(2-bromoanilino)-5-chloro-1H-pyrimidin-6-one is O=c1[nH]cnc(Nc2ccccc2Br)c1Cl.
What is the InChIKey of 4-(2-bromoanilino)-5-chloro-1H-pyrimidin-6-one?
The InChIKey is RPRJUJNCGJCEHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrClN3O/c11-6-3-1-2-4-7(6)15-9-8(12)10(16)14-5-13-9/h1-5H,(H2,13,14,15,16).
What are the key properties of 4-(2-bromoanilino)-5-chloro-1H-pyrimidin-6-one?
4-(2-bromoanilino)-5-chloro-1H-pyrimidin-6-one has a molecular weight of 300.54 g/mol, XLogP of 2.93, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromoanilino)-5-chloro-1H-pyrimidin-6-one is sourced from PubChem (CID 136970599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).