4-N-(3-bromo-5-methylphenyl)-2-N-propylpyrimidine-2,4-diamine

C14H17BrN4 — CID 107580994

IUPAC4-N-(3-bromo-5-methylphenyl)-2-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1nccc(Nc2cc(C)cc(Br)c2)n1
InChIInChI=1S/C14H17BrN4/c1-3-5-16-14-17-6-4-13(19-14)18-12-8-10(2)7-11(15)9-12/h4,6-9H,3,5H2,1-2H3,(H2,16,17,18,19)
InChIKeyVAAIFNNGAZUPCK-UHFFFAOYSA-N
MW321.22 g/mol
LogP4.11
Rot. Bonds5

About 4-N-(3-bromo-5-methylphenyl)-2-N-propylpyrimidine-2,4-diamine

4-N-(3-bromo-5-methylphenyl)-2-N-propylpyrimidine-2,4-diamine (PubChem CID 107580994) has the molecular formula C14H17BrN4 and a molecular weight of 321.22 g/mol. Its IUPAC name is 4-N-(3-bromo-5-methylphenyl)-2-N-propylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(3-bromo-5-methylphenyl)-2-N-propylpyrimidine-2,4-diamine
PubChem CID107580994
Molecular FormulaC14H17BrN4
Molecular Weight321.22 g/mol
Exact Mass320.06
IUPAC Name4-N-(3-bromo-5-methylphenyl)-2-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1nccc(Nc2cc(C)cc(Br)c2)n1
InChIInChI=1S/C14H17BrN4/c1-3-5-16-14-17-6-4-13(19-14)18-12-8-10(2)7-11(15)9-12/h4,6-9H,3,5H2,1-2H3,(H2,16,17,18,19)
InChIKeyVAAIFNNGAZUPCK-UHFFFAOYSA-N
XLogP4.11
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.22
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-N-(3-bromo-5-methylphenyl)-2-N-propylpyrimidine-2,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-N-(3,5-dimethylphenyl)-4-N-propylpyrimidine-2,4-diamine
CID 112881826
4-N-(4-bromo-2-methylphenyl)-2-N-propylpyrimidine-2,4-diamine
CID 84506008
4-N-(2,5-dibromophenyl)-2-N-propylpyrimidine-2,4-diamine
CID 80803992
4-N-(3-bromo-5-methylphenyl)-5-chloro-2-N-propylpyrimidine-2,4-diamine
CID 107580882
4-N-(3-ethylphenyl)-2-N-propylpyrimidine-2,4-diamine
CID 80761889
4-N-(4-bromo-2,6-dimethylphenyl)-2-N-ethylpyrimidine-2,4-diamine
CID 80847856
N-(3-bromo-5-methylphenyl)-4-methylpyrimidin-2-amine
CID 67249356
2-N-(3-bromo-4-methylphenyl)-4-N-propylpyrimidine-2,4-diamine
CID 112881854
2-N-[2-(3-chlorophenyl)ethyl]-4-N-(3,5-dimethylphenyl)pyrimidine-2,4-diamine
CID 112901448
2-N-butyl-4-N-(2-chloro-4,6-dimethylphenyl)pyrimidine-2,4-diamine
CID 112883085
2-N-[(2R)-2-amino-3-methoxypropyl]-4-N-(3,5-dimethylphenyl)pyrimidine-2,4-diamine
CID 174734102
2-N-ethyl-4-N-(4-methylphenyl)pyrimidine-2,4-diamine
CID 80761602

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-bromo-5-methylphenyl)-2-N-propylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-(3-bromo-5-methylphenyl)-2-N-propylpyrimidine-2,4-diamine (CID 107580994) is 4-N-(3-bromo-5-methylphenyl)-2-N-propylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(3-bromo-5-methylphenyl)-2-N-propylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(3-bromo-5-methylphenyl)-2-N-propylpyrimidine-2,4-diamine is CCCNc1nccc(Nc2cc(C)cc(Br)c2)n1.
What is the InChIKey of 4-N-(3-bromo-5-methylphenyl)-2-N-propylpyrimidine-2,4-diamine?
The InChIKey is VAAIFNNGAZUPCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN4/c1-3-5-16-14-17-6-4-13(19-14)18-12-8-10(2)7-11(15)9-12/h4,6-9H,3,5H2,1-2H3,(H2,16,17,18,19).
What are the key properties of 4-N-(3-bromo-5-methylphenyl)-2-N-propylpyrimidine-2,4-diamine?
4-N-(3-bromo-5-methylphenyl)-2-N-propylpyrimidine-2,4-diamine has a molecular weight of 321.22 g/mol, XLogP of 4.11, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-bromo-5-methylphenyl)-2-N-propylpyrimidine-2,4-diamine is sourced from PubChem (CID 107580994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).