5-bromo-4-(2,6-dichloro-3-methylanilino)-1H-pyrimidin-6-one

C11H8BrCl2N3O — CID 136970901

IUPAC5-bromo-4-(2,6-dichloro-3-methylanilino)-1H-pyrimidin-6-one
SMILESCc1ccc(Cl)c(Nc2nc[nH]c(=O)c2Br)c1Cl
InChIInChI=1S/C11H8BrCl2N3O/c1-5-2-3-6(13)9(8(5)14)17-10-7(12)11(18)16-4-15-10/h2-4H,1H3,(H2,15,16,17,18)
InChIKeyUKGRPEONJGCSRH-UHFFFAOYSA-N
MW349.02 g/mol
LogP3.89
Rot. Bonds2

About 5-bromo-4-(2,6-dichloro-3-methylanilino)-1H-pyrimidin-6-one

5-bromo-4-(2,6-dichloro-3-methylanilino)-1H-pyrimidin-6-one (PubChem CID 136970901) has the molecular formula C11H8BrCl2N3O and a molecular weight of 349.02 g/mol. Its IUPAC name is 5-bromo-4-(2,6-dichloro-3-methylanilino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-4-(2,6-dichloro-3-methylanilino)-1H-pyrimidin-6-one
PubChem CID136970901
Molecular FormulaC11H8BrCl2N3O
Molecular Weight349.02 g/mol
Exact Mass346.92
IUPAC Name5-bromo-4-(2,6-dichloro-3-methylanilino)-1H-pyrimidin-6-one
SMILESCc1ccc(Cl)c(Nc2nc[nH]c(=O)c2Br)c1Cl
InChIInChI=1S/C11H8BrCl2N3O/c1-5-2-3-6(13)9(8(5)14)17-10-7(12)11(18)16-4-15-10/h2-4H,1H3,(H2,15,16,17,18)
InChIKeyUKGRPEONJGCSRH-UHFFFAOYSA-N
XLogP3.89
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.02
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-4-(2,6-dichloroanilino)-1H-pyrimidin-6-one
CID 136971359
5-bromo-4-[(5-chloro-2,1,3-benzothiadiazol-4-yl)amino]-1H-pyrimidin-6-one
CID 136990167
N-(2,6-dichloro-3-methylphenyl)-5-methyl-1H-imidazol-2-amine
CID 106555957
5-bromo-4-(5-bromo-4-fluoro-2-methylanilino)-1H-pyrimidin-6-one
CID 136697012
5-bromo-4-[1-(2-chlorophenyl)ethylamino]-1H-pyrimidin-6-one
CID 136974899
5-bromo-4-[(1-methylpyrazol-3-yl)amino]-1H-pyrimidin-6-one
CID 136976348
5-bromo-4-(propan-2-ylamino)-1H-pyrimidin-6-one
CID 136955885
5-chloro-6-methyl-3H-quinazolin-4-one
CID 137274264
8-chloro-5-methyl-3H-quinazolin-4-one
CID 136862978
5-chloro-8-methyl-3H-quinazolin-4-one
CID 136922473
5-bromo-4-(3-methylbutan-2-ylamino)-1H-pyrimidin-6-one
CID 136955873
5-chloro-4-(3-methylanilino)-1H-pyrimidin-6-one
CID 136970384

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-(2,6-dichloro-3-methylanilino)-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-4-(2,6-dichloro-3-methylanilino)-1H-pyrimidin-6-one (CID 136970901) is 5-bromo-4-(2,6-dichloro-3-methylanilino)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-4-(2,6-dichloro-3-methylanilino)-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-4-(2,6-dichloro-3-methylanilino)-1H-pyrimidin-6-one is Cc1ccc(Cl)c(Nc2nc[nH]c(=O)c2Br)c1Cl.
What is the InChIKey of 5-bromo-4-(2,6-dichloro-3-methylanilino)-1H-pyrimidin-6-one?
The InChIKey is UKGRPEONJGCSRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrCl2N3O/c1-5-2-3-6(13)9(8(5)14)17-10-7(12)11(18)16-4-15-10/h2-4H,1H3,(H2,15,16,17,18).
What are the key properties of 5-bromo-4-(2,6-dichloro-3-methylanilino)-1H-pyrimidin-6-one?
5-bromo-4-(2,6-dichloro-3-methylanilino)-1H-pyrimidin-6-one has a molecular weight of 349.02 g/mol, XLogP of 3.89, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-(2,6-dichloro-3-methylanilino)-1H-pyrimidin-6-one is sourced from PubChem (CID 136970901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).