4-N-(4-bromo-3-chlorophenyl)-6-N-methylpyrimidine-4,6-diamine

C11H10BrClN4 — CID 107617790

IUPAC4-N-(4-bromo-3-chlorophenyl)-6-N-methylpyrimidine-4,6-diamine
SMILESCNc1cc(Nc2ccc(Br)c(Cl)c2)ncn1
InChIInChI=1S/C11H10BrClN4/c1-14-10-5-11(16-6-15-10)17-7-2-3-8(12)9(13)4-7/h2-6H,1H3,(H2,14,15,16,17)
InChIKeyPGJBRSAKQHDRRD-UHFFFAOYSA-N
MW313.59 g/mol
LogP3.68
Rot. Bonds3

About 4-N-(4-bromo-3-chlorophenyl)-6-N-methylpyrimidine-4,6-diamine

4-N-(4-bromo-3-chlorophenyl)-6-N-methylpyrimidine-4,6-diamine (PubChem CID 107617790) has the molecular formula C11H10BrClN4 and a molecular weight of 313.59 g/mol. Its IUPAC name is 4-N-(4-bromo-3-chlorophenyl)-6-N-methylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(4-bromo-3-chlorophenyl)-6-N-methylpyrimidine-4,6-diamine
PubChem CID107617790
Molecular FormulaC11H10BrClN4
Molecular Weight313.59 g/mol
Exact Mass311.98
IUPAC Name4-N-(4-bromo-3-chlorophenyl)-6-N-methylpyrimidine-4,6-diamine
SMILESCNc1cc(Nc2ccc(Br)c(Cl)c2)ncn1
InChIInChI=1S/C11H10BrClN4/c1-14-10-5-11(16-6-15-10)17-7-2-3-8(12)9(13)4-7/h2-6H,1H3,(H2,14,15,16,17)
InChIKeyPGJBRSAKQHDRRD-UHFFFAOYSA-N
XLogP3.68
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.59
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(4-bromo-3-chlorophenyl)-2-N-methylpyridine-2,4-diamine
CID 107617821
4-N-(4-bromo-3-methoxyphenyl)-6-N-methylpyrimidine-4,6-diamine
CID 82861687
4-N-[4-bromo-3-(trifluoromethyl)phenyl]-6-N-methylpyrimidine-4,6-diamine
CID 80842036
4-N-(4-bromo-3-chlorophenyl)-2-ethyl-6-N-methylpyrimidine-4,6-diamine
CID 107617788
4-N-(3,5-dichlorophenyl)-6-N-methylpyrimidine-4,6-diamine
CID 80768521
6-N-(4-bromo-3-chlorophenyl)-2-N-methyl-4-(trifluoromethyl)pyridine-2,6-diamine
CID 107617824
N-(4-bromo-3-methylphenyl)-6-chloropyrimidin-4-amine
CID 61277543
4-N-(3,4-dimethoxyphenyl)-6-N-methylpyrimidine-4,6-diamine
CID 80759827
4-N-(3-fluoro-4-methylphenyl)-6-N-methylpyrimidine-4,6-diamine
CID 80762428
4-N-(4-fluoro-3-methylphenyl)-6-N-methylpyrimidine-4,6-diamine
CID 80825736
2-(4-bromo-3-chloroanilino)pyridine-4-carbonitrile
CID 107620396
4-N-(4-methoxyphenyl)-6-N-methylpyrimidine-4,6-diamine
CID 53261245

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-bromo-3-chlorophenyl)-6-N-methylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(4-bromo-3-chlorophenyl)-6-N-methylpyrimidine-4,6-diamine (CID 107617790) is 4-N-(4-bromo-3-chlorophenyl)-6-N-methylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(4-bromo-3-chlorophenyl)-6-N-methylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(4-bromo-3-chlorophenyl)-6-N-methylpyrimidine-4,6-diamine is CNc1cc(Nc2ccc(Br)c(Cl)c2)ncn1.
What is the InChIKey of 4-N-(4-bromo-3-chlorophenyl)-6-N-methylpyrimidine-4,6-diamine?
The InChIKey is PGJBRSAKQHDRRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrClN4/c1-14-10-5-11(16-6-15-10)17-7-2-3-8(12)9(13)4-7/h2-6H,1H3,(H2,14,15,16,17).
What are the key properties of 4-N-(4-bromo-3-chlorophenyl)-6-N-methylpyrimidine-4,6-diamine?
4-N-(4-bromo-3-chlorophenyl)-6-N-methylpyrimidine-4,6-diamine has a molecular weight of 313.59 g/mol, XLogP of 3.68, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-bromo-3-chlorophenyl)-6-N-methylpyrimidine-4,6-diamine is sourced from PubChem (CID 107617790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).