5-bromo-4-(2,6-dichloroanilino)-1H-pyrimidin-6-one

C10H6BrCl2N3O — CID 136971359

IUPAC5-bromo-4-(2,6-dichloroanilino)-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(Nc2c(Cl)cccc2Cl)c1Br
InChIInChI=1S/C10H6BrCl2N3O/c11-7-9(14-4-15-10(7)17)16-8-5(12)2-1-3-6(8)13/h1-4H,(H2,14,15,16,17)
InChIKeyMSHBUWPRWSZSQT-UHFFFAOYSA-N
MW334.99 g/mol
LogP3.58
Rot. Bonds2

About 5-bromo-4-(2,6-dichloroanilino)-1H-pyrimidin-6-one

5-bromo-4-(2,6-dichloroanilino)-1H-pyrimidin-6-one (PubChem CID 136971359) has the molecular formula C10H6BrCl2N3O and a molecular weight of 334.99 g/mol. Its IUPAC name is 5-bromo-4-(2,6-dichloroanilino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-4-(2,6-dichloroanilino)-1H-pyrimidin-6-one
PubChem CID136971359
Molecular FormulaC10H6BrCl2N3O
Molecular Weight334.99 g/mol
Exact Mass332.91
IUPAC Name5-bromo-4-(2,6-dichloroanilino)-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(Nc2c(Cl)cccc2Cl)c1Br
InChIInChI=1S/C10H6BrCl2N3O/c11-7-9(14-4-15-10(7)17)16-8-5(12)2-1-3-6(8)13/h1-4H,(H2,14,15,16,17)
InChIKeyMSHBUWPRWSZSQT-UHFFFAOYSA-N
XLogP3.58
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.99
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-4-(2,6-dichloro-3-methylanilino)-1H-pyrimidin-6-one
CID 136970901
5-bromo-4-[(5-chloro-2,1,3-benzothiadiazol-4-yl)amino]-1H-pyrimidin-6-one
CID 136990167
5-bromo-4-[1-(2-chlorophenyl)ethylamino]-1H-pyrimidin-6-one
CID 136974899
5-bromo-4-(5,6,7,8-tetrahydronaphthalen-1-ylamino)-1H-pyrimidin-6-one
CID 136970437
5-bromo-4-(pyrrol-1-ylamino)-1H-pyrimidin-6-one
CID 136976272
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
4-(2-bromoanilino)-5-chloro-1H-pyrimidin-6-one
CID 136970599
5-bromo-4-[1-(2-chlorophenyl)ethyl-methylamino]-1H-pyrimidin-6-one
CID 136990160
5-chloro-4-(3-methylanilino)-1H-pyrimidin-6-one
CID 136970384
2-(2,6-dichloroanilino)-1-methyl-8H-imidazo[4,5-f]quinazolin-9-one
CID 135432997
5-bromo-4-(3-methylbutan-2-ylamino)-1H-pyrimidin-6-one
CID 136955873

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-(2,6-dichloroanilino)-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-4-(2,6-dichloroanilino)-1H-pyrimidin-6-one (CID 136971359) is 5-bromo-4-(2,6-dichloroanilino)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-4-(2,6-dichloroanilino)-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-4-(2,6-dichloroanilino)-1H-pyrimidin-6-one is O=c1[nH]cnc(Nc2c(Cl)cccc2Cl)c1Br.
What is the InChIKey of 5-bromo-4-(2,6-dichloroanilino)-1H-pyrimidin-6-one?
The InChIKey is MSHBUWPRWSZSQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrCl2N3O/c11-7-9(14-4-15-10(7)17)16-8-5(12)2-1-3-6(8)13/h1-4H,(H2,14,15,16,17).
What are the key properties of 5-bromo-4-(2,6-dichloroanilino)-1H-pyrimidin-6-one?
5-bromo-4-(2,6-dichloroanilino)-1H-pyrimidin-6-one has a molecular weight of 334.99 g/mol, XLogP of 3.58, 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-dichloroanilino)-1H-pyrimidin-6-one is sourced from PubChem (CID 136971359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).