4-N-(4-bromo-3,5-dimethylphenyl)-2-N-methylpyrimidine-2,4-diamine

C13H15BrN4 — CID 107580704

IUPAC4-N-(4-bromo-3,5-dimethylphenyl)-2-N-methylpyrimidine-2,4-diamine
SMILESCNc1nccc(Nc2cc(C)c(Br)c(C)c2)n1
InChIInChI=1S/C13H15BrN4/c1-8-6-10(7-9(2)12(8)14)17-11-4-5-16-13(15-3)18-11/h4-7H,1-3H3,(H2,15,16,17,18)
InChIKeyOHCGUVTVSQESJX-UHFFFAOYSA-N
MW307.20 g/mol
LogP3.64
Rot. Bonds3

About 4-N-(4-bromo-3,5-dimethylphenyl)-2-N-methylpyrimidine-2,4-diamine

4-N-(4-bromo-3,5-dimethylphenyl)-2-N-methylpyrimidine-2,4-diamine (PubChem CID 107580704) has the molecular formula C13H15BrN4 and a molecular weight of 307.20 g/mol. Its IUPAC name is 4-N-(4-bromo-3,5-dimethylphenyl)-2-N-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(4-bromo-3,5-dimethylphenyl)-2-N-methylpyrimidine-2,4-diamine
PubChem CID107580704
Molecular FormulaC13H15BrN4
Molecular Weight307.20 g/mol
Exact Mass306.05
IUPAC Name4-N-(4-bromo-3,5-dimethylphenyl)-2-N-methylpyrimidine-2,4-diamine
SMILESCNc1nccc(Nc2cc(C)c(Br)c(C)c2)n1
InChIInChI=1S/C13H15BrN4/c1-8-6-10(7-9(2)12(8)14)17-11-4-5-16-13(15-3)18-11/h4-7H,1-3H3,(H2,15,16,17,18)
InChIKeyOHCGUVTVSQESJX-UHFFFAOYSA-N
XLogP3.64
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.20
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(3,5-difluorophenyl)-2-N-methylpyrimidine-2,4-diamine
CID 80761660
2-N-methyl-4-N-phenylpyrimidine-2,4-diamine
CID 70186991
4-N-(3-bromo-4-fluorophenyl)-2-N-methylpyrimidine-2,4-diamine
CID 104782032
2-N,4-N-bis(3,4-dimethylphenyl)pyrimidine-2,4-diamine;hydrochloride
CID 71671107
4-N-(2,5-dibromophenyl)-2-N-methylpyrimidine-2,4-diamine
CID 80802722
4-N-(5-fluoro-2-methylphenyl)-2-N-methylpyrimidine-2,4-diamine
CID 80762283
4-N-(4-bromo-3-methylphenyl)-2-N-(4-chlorophenyl)pyrimidine-2,4-diamine
CID 112903833
4-N-(4-chloro-3-fluorophenyl)-2-N-methylpyrimidine-2,4-diamine
CID 80802835
4-N-(4-bromo-2-fluorophenyl)-2-N-methylpyrimidine-2,4-diamine
CID 80759361
4-N-(5-bromo-2-chlorophenyl)-2-N-methylpyrimidine-2,4-diamine
CID 80824850
4-N-(4-methoxy-2-methylphenyl)-2-N-methylpyrimidine-2,4-diamine
CID 80824739
2-N-methyl-4-N-(4-propylphenyl)pyrimidine-2,4-diamine
CID 80780741

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-bromo-3,5-dimethylphenyl)-2-N-methylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-(4-bromo-3,5-dimethylphenyl)-2-N-methylpyrimidine-2,4-diamine (CID 107580704) is 4-N-(4-bromo-3,5-dimethylphenyl)-2-N-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(4-bromo-3,5-dimethylphenyl)-2-N-methylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(4-bromo-3,5-dimethylphenyl)-2-N-methylpyrimidine-2,4-diamine is CNc1nccc(Nc2cc(C)c(Br)c(C)c2)n1.
What is the InChIKey of 4-N-(4-bromo-3,5-dimethylphenyl)-2-N-methylpyrimidine-2,4-diamine?
The InChIKey is OHCGUVTVSQESJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN4/c1-8-6-10(7-9(2)12(8)14)17-11-4-5-16-13(15-3)18-11/h4-7H,1-3H3,(H2,15,16,17,18).
What are the key properties of 4-N-(4-bromo-3,5-dimethylphenyl)-2-N-methylpyrimidine-2,4-diamine?
4-N-(4-bromo-3,5-dimethylphenyl)-2-N-methylpyrimidine-2,4-diamine has a molecular weight of 307.20 g/mol, XLogP of 3.64, 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-3,5-dimethylphenyl)-2-N-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 107580704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).