4-N-(4-bromo-3-methylphenyl)-6-N-ethyl-2-propylpyrimidine-4,6-diamine

C16H21BrN4 — CID 80940247

IUPAC4-N-(4-bromo-3-methylphenyl)-6-N-ethyl-2-propylpyrimidine-4,6-diamine
SMILESCCCc1nc(NCC)cc(Nc2ccc(Br)c(C)c2)n1
InChIInChI=1S/C16H21BrN4/c1-4-6-14-20-15(18-5-2)10-16(21-14)19-12-7-8-13(17)11(3)9-12/h7-10H,4-6H2,1-3H3,(H2,18,19,20,21)
InChIKeyRGSAIJQFZVVGCV-UHFFFAOYSA-N
MW349.28 g/mol
LogP4.68
Rot. Bonds6

About 4-N-(4-bromo-3-methylphenyl)-6-N-ethyl-2-propylpyrimidine-4,6-diamine

4-N-(4-bromo-3-methylphenyl)-6-N-ethyl-2-propylpyrimidine-4,6-diamine (PubChem CID 80940247) has the molecular formula C16H21BrN4 and a molecular weight of 349.28 g/mol. Its IUPAC name is 4-N-(4-bromo-3-methylphenyl)-6-N-ethyl-2-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(4-bromo-3-methylphenyl)-6-N-ethyl-2-propylpyrimidine-4,6-diamine
PubChem CID80940247
Molecular FormulaC16H21BrN4
Molecular Weight349.28 g/mol
Exact Mass348.09
IUPAC Name4-N-(4-bromo-3-methylphenyl)-6-N-ethyl-2-propylpyrimidine-4,6-diamine
SMILESCCCc1nc(NCC)cc(Nc2ccc(Br)c(C)c2)n1
InChIInChI=1S/C16H21BrN4/c1-4-6-14-20-15(18-5-2)10-16(21-14)19-12-7-8-13(17)11(3)9-12/h7-10H,4-6H2,1-3H3,(H2,18,19,20,21)
InChIKeyRGSAIJQFZVVGCV-UHFFFAOYSA-N
XLogP4.68
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.28
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-N-(4-bromo-3-methylphenyl)-6-N-ethyl-2-propylpyrimidine-4,6-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

4-N-(3-bromo-4-methylphenyl)-6-N-ethyl-2-propylpyrimidine-4,6-diamine
CID 80943742
4-N-(4-bromo-3-methylphenyl)-6-N-ethyl-2-methylsulfanylpyrimidine-4,6-diamine
CID 80759959
4-N-(4-bromo-3-methylphenyl)-6-N-ethyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80956183
N-(4-bromo-3-methylphenyl)-2-ethyl-6-hydrazinylpyrimidin-4-amine
CID 80937868
4-N-(4-bromo-3-fluorophenyl)-6-N,2-diethylpyrimidine-4,6-diamine
CID 80941489
4-N-(3-chlorophenyl)-6-N-ethyl-2-propylpyrimidine-4,6-diamine
CID 80945010
6-N,2-diethyl-4-N-(3-fluoro-4-methylphenyl)pyrimidine-4,6-diamine
CID 80933754
4-N-(4-bromo-3-fluorophenyl)-6-N-ethylpyrimidine-2,4,6-triamine
CID 80842205
4-bromo-N-ethyl-3-methylaniline;hydrochloride
CID 75530858
6-N-ethyl-4-N-(4-fluoro-3-methylphenyl)-2-methylpyrimidine-4,6-diamine
CID 80825643
6-N-ethyl-4-N-(4-fluoro-2-methylphenyl)-2-propylpyrimidine-4,6-diamine
CID 80939622
6-N-methyl-4-N-(3-methylphenyl)-2-propylpyrimidine-4,6-diamine
CID 80945398

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-bromo-3-methylphenyl)-6-N-ethyl-2-propylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(4-bromo-3-methylphenyl)-6-N-ethyl-2-propylpyrimidine-4,6-diamine (CID 80940247) is 4-N-(4-bromo-3-methylphenyl)-6-N-ethyl-2-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(4-bromo-3-methylphenyl)-6-N-ethyl-2-propylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(4-bromo-3-methylphenyl)-6-N-ethyl-2-propylpyrimidine-4,6-diamine is CCCc1nc(NCC)cc(Nc2ccc(Br)c(C)c2)n1.
What is the InChIKey of 4-N-(4-bromo-3-methylphenyl)-6-N-ethyl-2-propylpyrimidine-4,6-diamine?
The InChIKey is RGSAIJQFZVVGCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21BrN4/c1-4-6-14-20-15(18-5-2)10-16(21-14)19-12-7-8-13(17)11(3)9-12/h7-10H,4-6H2,1-3H3,(H2,18,19,20,21).
What are the key properties of 4-N-(4-bromo-3-methylphenyl)-6-N-ethyl-2-propylpyrimidine-4,6-diamine?
4-N-(4-bromo-3-methylphenyl)-6-N-ethyl-2-propylpyrimidine-4,6-diamine has a molecular weight of 349.28 g/mol, XLogP of 4.68, 6 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-methylphenyl)-6-N-ethyl-2-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 80940247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).