5-methyl-4-N-[1-(2-methylphenyl)ethyl]-6-N-propylpyrimidine-4,6-diamine

C17H24N4 — CID 80783795

IUPAC5-methyl-4-N-[1-(2-methylphenyl)ethyl]-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1ncnc(NC(C)c2ccccc2C)c1C
InChIInChI=1S/C17H24N4/c1-5-10-18-16-13(3)17(20-11-19-16)21-14(4)15-9-7-6-8-12(15)2/h6-9,11,14H,5,10H2,1-4H3,(H2,18,19,20,21)
InChIKeyYPPHBHNMWZBRPH-UHFFFAOYSA-N
MW284.41 g/mol
LogP4.09
Rot. Bonds6

About 5-methyl-4-N-[1-(2-methylphenyl)ethyl]-6-N-propylpyrimidine-4,6-diamine

5-methyl-4-N-[1-(2-methylphenyl)ethyl]-6-N-propylpyrimidine-4,6-diamine (PubChem CID 80783795) has the molecular formula C17H24N4 and a molecular weight of 284.41 g/mol. Its IUPAC name is 5-methyl-4-N-[1-(2-methylphenyl)ethyl]-6-N-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name5-methyl-4-N-[1-(2-methylphenyl)ethyl]-6-N-propylpyrimidine-4,6-diamine
PubChem CID80783795
Molecular FormulaC17H24N4
Molecular Weight284.41 g/mol
Exact Mass284.20
IUPAC Name5-methyl-4-N-[1-(2-methylphenyl)ethyl]-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1ncnc(NC(C)c2ccccc2C)c1C
InChIInChI=1S/C17H24N4/c1-5-10-18-16-13(3)17(20-11-19-16)21-14(4)15-9-7-6-8-12(15)2/h6-9,11,14H,5,10H2,1-4H3,(H2,18,19,20,21)
InChIKeyYPPHBHNMWZBRPH-UHFFFAOYSA-N
XLogP4.09
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-methyl-4-N-[1-(2-methylphenyl)ethyl]-6-N-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-butan-2-yl-5-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80765737
4-N-[1-(3-fluorophenyl)ethyl]-5-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80783043
5-methyl-6-N-propyl-4-N-(1-thiophen-3-ylethyl)pyrimidine-4,6-diamine
CID 80825152
6-chloro-N-[1-(2-methylphenyl)ethyl]-5-propylpyrimidin-4-amine
CID 15916585
5-fluoro-4-N-[1-(2-methylphenyl)ethyl]-2-N-propylpyrimidine-2,4-diamine
CID 80784565
2-[[5-methyl-6-(propylamino)pyrimidin-4-yl]amino]-2-phenylethanol
CID 80812449
5-methyl-4-N-(5-methylhexan-2-yl)-6-N-propylpyrimidine-4,6-diamine
CID 80838810
4-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-5-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80783060
2-methyl-4-N-[1-(2-methylphenyl)ethyl]-6-N-propylpyrimidine-4,6-diamine
CID 80783678
6-chloro-N-[1-(2-methylphenyl)ethyl]-5-propan-2-ylpyrimidin-4-amine
CID 63729650
6-chloro-2-N-[1-(2-methylphenyl)ethyl]-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80783674
4-N-[1-(dimethylamino)-3-methylbutan-2-yl]-5-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80800967

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-N-[1-(2-methylphenyl)ethyl]-6-N-propylpyrimidine-4,6-diamine?
The IUPAC name of 5-methyl-4-N-[1-(2-methylphenyl)ethyl]-6-N-propylpyrimidine-4,6-diamine (CID 80783795) is 5-methyl-4-N-[1-(2-methylphenyl)ethyl]-6-N-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 5-methyl-4-N-[1-(2-methylphenyl)ethyl]-6-N-propylpyrimidine-4,6-diamine?
The canonical SMILES for 5-methyl-4-N-[1-(2-methylphenyl)ethyl]-6-N-propylpyrimidine-4,6-diamine is CCCNc1ncnc(NC(C)c2ccccc2C)c1C.
What is the InChIKey of 5-methyl-4-N-[1-(2-methylphenyl)ethyl]-6-N-propylpyrimidine-4,6-diamine?
The InChIKey is YPPHBHNMWZBRPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4/c1-5-10-18-16-13(3)17(20-11-19-16)21-14(4)15-9-7-6-8-12(15)2/h6-9,11,14H,5,10H2,1-4H3,(H2,18,19,20,21).
What are the key properties of 5-methyl-4-N-[1-(2-methylphenyl)ethyl]-6-N-propylpyrimidine-4,6-diamine?
5-methyl-4-N-[1-(2-methylphenyl)ethyl]-6-N-propylpyrimidine-4,6-diamine has a molecular weight of 284.41 g/mol, XLogP of 4.09, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-N-[1-(2-methylphenyl)ethyl]-6-N-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 80783795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).