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

C16H22N4 — CID 80945206

IUPAC4-N-methyl-4-N-[(4-methylphenyl)methyl]-2-propylpyrimidine-4,6-diamine
SMILESCCCc1nc(N)cc(N(C)Cc2ccc(C)cc2)n1
InChIInChI=1S/C16H22N4/c1-4-5-15-18-14(17)10-16(19-15)20(3)11-13-8-6-12(2)7-9-13/h6-10H,4-5,11H2,1-3H3,(H2,17,18,19)
InChIKeyNIMLDAUYHFKSON-UHFFFAOYSA-N
MW270.38 g/mol
LogP2.96
Rot. Bonds5

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

4-N-methyl-4-N-[(4-methylphenyl)methyl]-2-propylpyrimidine-4,6-diamine (PubChem CID 80945206) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is 4-N-methyl-4-N-[(4-methylphenyl)methyl]-2-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-methyl-4-N-[(4-methylphenyl)methyl]-2-propylpyrimidine-4,6-diamine
PubChem CID80945206
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC Name4-N-methyl-4-N-[(4-methylphenyl)methyl]-2-propylpyrimidine-4,6-diamine
SMILESCCCc1nc(N)cc(N(C)Cc2ccc(C)cc2)n1
InChIInChI=1S/C16H22N4/c1-4-5-15-18-14(17)10-16(19-15)20(3)11-13-8-6-12(2)7-9-13/h6-10H,4-5,11H2,1-3H3,(H2,17,18,19)
InChIKeyNIMLDAUYHFKSON-UHFFFAOYSA-N
XLogP2.96
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-N-methyl-4-N-[(4-methylphenyl)methyl]-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-fluorophenyl)methyl]-4-N-methyl-2-propylpyrimidine-4,6-diamine
CID 80945613
4-N-methyl-4-N-[(2-methylfuran-3-yl)methyl]-2-propylpyrimidine-4,6-diamine
CID 80955078
2-ethyl-4-N-[(4-fluorophenyl)methyl]-4-N-methylpyrimidine-4,6-diamine
CID 80934212
4-N-(2,4-dimethylphenyl)-4-N-methyl-2-propylpyrimidine-4,6-diamine
CID 80954477
4-N-methyl-4-N-(2-methylpropyl)-2-propylpyrimidine-4,6-diamine
CID 80954780
N-[(4-chlorophenyl)methyl]-6-hydrazinyl-N-methyl-2-propylpyrimidin-4-amine
CID 80943087
2-N-methyl-2-N-[(4-methylphenyl)methyl]pyrazine-2,5-diamine
CID 80652508
4-N-methyl-4-N-phenyl-2-propylpyrimidine-4,6-diamine
CID 80946499
6-chloro-4-N-methyl-4-N-[(4-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 31537685
2-propylpyrimidine-4,6-diamine
CID 67304918
2-[(6-amino-2-propylpyrimidin-4-yl)-(2-hydroxyethyl)amino]ethanol
CID 80955354
4-N-methyl-4-N-(2-propan-2-yloxyethyl)-2-propylpyrimidine-4,6-diamine
CID 81068729

Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-4-N-[(4-methylphenyl)methyl]-2-propylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-methyl-4-N-[(4-methylphenyl)methyl]-2-propylpyrimidine-4,6-diamine (CID 80945206) is 4-N-methyl-4-N-[(4-methylphenyl)methyl]-2-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-methyl-4-N-[(4-methylphenyl)methyl]-2-propylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-methyl-4-N-[(4-methylphenyl)methyl]-2-propylpyrimidine-4,6-diamine is CCCc1nc(N)cc(N(C)Cc2ccc(C)cc2)n1.
What is the InChIKey of 4-N-methyl-4-N-[(4-methylphenyl)methyl]-2-propylpyrimidine-4,6-diamine?
The InChIKey is NIMLDAUYHFKSON-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c1-4-5-15-18-14(17)10-16(19-15)20(3)11-13-8-6-12(2)7-9-13/h6-10H,4-5,11H2,1-3H3,(H2,17,18,19).
What are the key properties of 4-N-methyl-4-N-[(4-methylphenyl)methyl]-2-propylpyrimidine-4,6-diamine?
4-N-methyl-4-N-[(4-methylphenyl)methyl]-2-propylpyrimidine-4,6-diamine has a molecular weight of 270.38 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methyl-4-N-[(4-methylphenyl)methyl]-2-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 80945206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).