5-bromo-4-(5-bromo-4-fluoro-2-methylanilino)-1H-pyrimidin-6-one

C11H8Br2FN3O — CID 136697012

IUPAC5-bromo-4-(5-bromo-4-fluoro-2-methylanilino)-1H-pyrimidin-6-one
SMILESCc1cc(F)c(Br)cc1Nc1nc[nH]c(=O)c1Br
InChIInChI=1S/C11H8Br2FN3O/c1-5-2-7(14)6(12)3-8(5)17-10-9(13)11(18)16-4-15-10/h2-4H,1H3,(H2,15,16,17,18)
InChIKeyLNBBRBCEDXTIKJ-UHFFFAOYSA-N
MW377.01 g/mol
LogP3.49
Rot. Bonds2

About 5-bromo-4-(5-bromo-4-fluoro-2-methylanilino)-1H-pyrimidin-6-one

5-bromo-4-(5-bromo-4-fluoro-2-methylanilino)-1H-pyrimidin-6-one (PubChem CID 136697012) has the molecular formula C11H8Br2FN3O and a molecular weight of 377.01 g/mol. Its IUPAC name is 5-bromo-4-(5-bromo-4-fluoro-2-methylanilino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-4-(5-bromo-4-fluoro-2-methylanilino)-1H-pyrimidin-6-one
PubChem CID136697012
Molecular FormulaC11H8Br2FN3O
Molecular Weight377.01 g/mol
Exact Mass374.90
IUPAC Name5-bromo-4-(5-bromo-4-fluoro-2-methylanilino)-1H-pyrimidin-6-one
SMILESCc1cc(F)c(Br)cc1Nc1nc[nH]c(=O)c1Br
InChIInChI=1S/C11H8Br2FN3O/c1-5-2-7(14)6(12)3-8(5)17-10-9(13)11(18)16-4-15-10/h2-4H,1H3,(H2,15,16,17,18)
InChIKeyLNBBRBCEDXTIKJ-UHFFFAOYSA-N
XLogP3.49
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.01
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-dibromo-N-(5-bromo-4-fluoro-2-methylphenyl)pyridin-2-amine
CID 107593871
5-bromo-4-[(1-methylpyrazol-3-yl)amino]-1H-pyrimidin-6-one
CID 136976348
N-(5-bromo-4-fluoro-2-methylphenyl)-4,5-dihydro-1H-imidazol-2-amine
CID 107591814
5-bromo-4-(2,6-dichloro-3-methylanilino)-1H-pyrimidin-6-one
CID 136970901
4-(5-bromo-2-methylanilino)-5-iodo-1H-pyrimidin-6-one
CID 136970874
2-N-(5-bromo-4-fluoro-2-methylphenyl)pyrimidine-2,5-diamine
CID 107590931
5-bromo-4-(propan-2-ylamino)-1H-pyrimidin-6-one
CID 136955885
4-N-(5-bromo-4-fluoro-2-methylphenyl)-5-nitropyrimidine-4,6-diamine
CID 107594461
5-bromo-4-(5,6,7,8-tetrahydronaphthalen-1-ylamino)-1H-pyrimidin-6-one
CID 136970437
N-(5-bromo-4-fluoro-2-methylphenyl)-2,3,5,6-tetrafluoropyridin-4-amine
CID 107593334
2-N-(5-bromo-4-fluoro-2-methylphenyl)-6-chloropyridine-2,3-diamine
CID 107591031
5-chloro-4-(2-fluoro-5-methylanilino)-1H-pyrimidin-6-one
CID 136970408

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-(5-bromo-4-fluoro-2-methylanilino)-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-4-(5-bromo-4-fluoro-2-methylanilino)-1H-pyrimidin-6-one (CID 136697012) is 5-bromo-4-(5-bromo-4-fluoro-2-methylanilino)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-4-(5-bromo-4-fluoro-2-methylanilino)-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-4-(5-bromo-4-fluoro-2-methylanilino)-1H-pyrimidin-6-one is Cc1cc(F)c(Br)cc1Nc1nc[nH]c(=O)c1Br.
What is the InChIKey of 5-bromo-4-(5-bromo-4-fluoro-2-methylanilino)-1H-pyrimidin-6-one?
The InChIKey is LNBBRBCEDXTIKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Br2FN3O/c1-5-2-7(14)6(12)3-8(5)17-10-9(13)11(18)16-4-15-10/h2-4H,1H3,(H2,15,16,17,18).
What are the key properties of 5-bromo-4-(5-bromo-4-fluoro-2-methylanilino)-1H-pyrimidin-6-one?
5-bromo-4-(5-bromo-4-fluoro-2-methylanilino)-1H-pyrimidin-6-one has a molecular weight of 377.01 g/mol, XLogP of 3.49, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-(5-bromo-4-fluoro-2-methylanilino)-1H-pyrimidin-6-one is sourced from PubChem (CID 136697012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).