2-cyclopropyl-4-N-(4-ethylcyclohexyl)-4-N,6-N-dimethylpyrimidine-4,6-diamine

C17H28N4 — CID 80961755

IUPAC2-cyclopropyl-4-N-(4-ethylcyclohexyl)-4-N,6-N-dimethylpyrimidine-4,6-diamine
SMILESCCC1CCC(N(C)c2cc(NC)nc(C3CC3)n2)CC1
InChIInChI=1S/C17H28N4/c1-4-12-5-9-14(10-6-12)21(3)16-11-15(18-2)19-17(20-16)13-7-8-13/h11-14H,4-10H2,1-3H3,(H,18,19,20)
InChIKeyGRAJZMJCLBDRFX-UHFFFAOYSA-N
MW288.44 g/mol
LogP3.80
Rot. Bonds5

About 2-cyclopropyl-4-N-(4-ethylcyclohexyl)-4-N,6-N-dimethylpyrimidine-4,6-diamine

2-cyclopropyl-4-N-(4-ethylcyclohexyl)-4-N,6-N-dimethylpyrimidine-4,6-diamine (PubChem CID 80961755) has the molecular formula C17H28N4 and a molecular weight of 288.44 g/mol. Its IUPAC name is 2-cyclopropyl-4-N-(4-ethylcyclohexyl)-4-N,6-N-dimethylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-cyclopropyl-4-N-(4-ethylcyclohexyl)-4-N,6-N-dimethylpyrimidine-4,6-diamine
PubChem CID80961755
Molecular FormulaC17H28N4
Molecular Weight288.44 g/mol
Exact Mass288.23
IUPAC Name2-cyclopropyl-4-N-(4-ethylcyclohexyl)-4-N,6-N-dimethylpyrimidine-4,6-diamine
SMILESCCC1CCC(N(C)c2cc(NC)nc(C3CC3)n2)CC1
InChIInChI=1S/C17H28N4/c1-4-12-5-9-14(10-6-12)21(3)16-11-15(18-2)19-17(20-16)13-7-8-13/h11-14H,4-10H2,1-3H3,(H,18,19,20)
InChIKeyGRAJZMJCLBDRFX-UHFFFAOYSA-N
XLogP3.80
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-cyclopropyl-4-N-(4-ethylcyclohexyl)-4-N,6-N-dimethylpyrimidine-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

2-cyclopropyl-4-N-(cyclopropylmethyl)-4-N-ethyl-6-N-methylpyrimidine-4,6-diamine
CID 80958721
2-cyclopropyl-4-N,6-N-dimethyl-4-N-(1-methylpiperidin-3-yl)pyrimidine-4,6-diamine
CID 80957762
4-N-(4-ethylcyclohexyl)-6-hydrazinyl-4-N-methylpyrimidine-2,4-diamine
CID 80896120
2-(4-ethylcyclohexyl)-N-methyl-6-propylpyrimidin-4-amine
CID 65390530
2-cyclopropyl-4-N-(4-ethylphenyl)-4-N,6-N-dimethylpyrimidine-4,6-diamine
CID 80968162
2-ethyl-4-N,6-N-dimethyl-4-N-(4-methylcyclohexyl)pyrimidine-4,6-diamine
CID 80934216
2-cyclopropyl-4-N,6-N-dimethyl-4-N-(2-methyloxolan-3-yl)pyrimidine-4,6-diamine
CID 82744511
2-(4-ethylcyclohexyl)-N-methylpyrimidin-4-amine
CID 65391328
2-cyclopropyl-4-N,6-N-dimethyl-4-N-(2-methylsulfanylethyl)pyrimidine-4,6-diamine
CID 112667758
2-cyclopropyl-4-N,6-N-dimethyl-4-N-[(1-methylpiperidin-4-yl)methyl]pyrimidine-4,6-diamine
CID 80959120
3-[[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]-methylamino]-2-methylpropanenitrile
CID 80962128
4-N-cyclopentyl-4-N,6-N,2-trimethylpyrimidine-4,6-diamine
CID 80774637

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-N-(4-ethylcyclohexyl)-4-N,6-N-dimethylpyrimidine-4,6-diamine?
The IUPAC name of 2-cyclopropyl-4-N-(4-ethylcyclohexyl)-4-N,6-N-dimethylpyrimidine-4,6-diamine (CID 80961755) is 2-cyclopropyl-4-N-(4-ethylcyclohexyl)-4-N,6-N-dimethylpyrimidine-4,6-diamine.
What is the SMILES notation for 2-cyclopropyl-4-N-(4-ethylcyclohexyl)-4-N,6-N-dimethylpyrimidine-4,6-diamine?
The canonical SMILES for 2-cyclopropyl-4-N-(4-ethylcyclohexyl)-4-N,6-N-dimethylpyrimidine-4,6-diamine is CCC1CCC(N(C)c2cc(NC)nc(C3CC3)n2)CC1.
What is the InChIKey of 2-cyclopropyl-4-N-(4-ethylcyclohexyl)-4-N,6-N-dimethylpyrimidine-4,6-diamine?
The InChIKey is GRAJZMJCLBDRFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4/c1-4-12-5-9-14(10-6-12)21(3)16-11-15(18-2)19-17(20-16)13-7-8-13/h11-14H,4-10H2,1-3H3,(H,18,19,20).
What are the key properties of 2-cyclopropyl-4-N-(4-ethylcyclohexyl)-4-N,6-N-dimethylpyrimidine-4,6-diamine?
2-cyclopropyl-4-N-(4-ethylcyclohexyl)-4-N,6-N-dimethylpyrimidine-4,6-diamine has a molecular weight of 288.44 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-N-(4-ethylcyclohexyl)-4-N,6-N-dimethylpyrimidine-4,6-diamine is sourced from PubChem (CID 80961755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).