2-tert-butyl-4-N-(2-ethylcyclohexyl)pyrimidine-4,6-diamine

C16H28N4 — CID 80962087

IUPAC2-tert-butyl-4-N-(2-ethylcyclohexyl)pyrimidine-4,6-diamine
SMILESCCC1CCCCC1Nc1cc(N)nc(C(C)(C)C)n1
InChIInChI=1S/C16H28N4/c1-5-11-8-6-7-9-12(11)18-14-10-13(17)19-15(20-14)16(2,3)4/h10-12H,5-9H2,1-4H3,(H3,17,18,19,20)
InChIKeySSEMYFARVVTFLT-UHFFFAOYSA-N
MW276.43 g/mol
LogP3.74
Rot. Bonds3

About 2-tert-butyl-4-N-(2-ethylcyclohexyl)pyrimidine-4,6-diamine

2-tert-butyl-4-N-(2-ethylcyclohexyl)pyrimidine-4,6-diamine (PubChem CID 80962087) has the molecular formula C16H28N4 and a molecular weight of 276.43 g/mol. Its IUPAC name is 2-tert-butyl-4-N-(2-ethylcyclohexyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-tert-butyl-4-N-(2-ethylcyclohexyl)pyrimidine-4,6-diamine
PubChem CID80962087
Molecular FormulaC16H28N4
Molecular Weight276.43 g/mol
Exact Mass276.23
IUPAC Name2-tert-butyl-4-N-(2-ethylcyclohexyl)pyrimidine-4,6-diamine
SMILESCCC1CCCCC1Nc1cc(N)nc(C(C)(C)C)n1
InChIInChI=1S/C16H28N4/c1-5-11-8-6-7-9-12(11)18-14-10-13(17)19-15(20-14)16(2,3)4/h10-12H,5-9H2,1-4H3,(H3,17,18,19,20)
InChIKeySSEMYFARVVTFLT-UHFFFAOYSA-N
XLogP3.74
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.43
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-tert-butyl-4-N-(2-ethylcyclohexyl)pyrimidine-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-tert-butyl-N-(2-ethylcyclohexyl)-6-hydrazinylpyrimidin-4-amine
CID 80963881
[2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]cyclohexyl]methanol
CID 106368301
4-N-(2-ethylcyclohexyl)-6-methylpyrimidine-2,4-diamine
CID 112727442
2-tert-butyl-4-N-(3-cyclopentylpropyl)pyrimidine-4,6-diamine
CID 106015132
N-(2-ethylcyclohexyl)-6-hydrazinyl-4-(trifluoromethyl)pyridin-2-amine
CID 102720558
2-N-(2-ethylcyclohexyl)quinoline-2,6-diamine
CID 63402589
2-tert-butyl-N-(3-ethyl-2-methylcyclopentyl)-6-hydrazinylpyrimidin-4-amine
CID 80969799
4-N-(2-ethylcyclohexyl)-6-N,2-dimethylpyrimidine-4,6-diamine
CID 80803646
2-N-(2-ethylcyclohexyl)pyrimidine-2,4-diamine
CID 116795796
[2-[(6-amino-2-ethylpyrimidin-4-yl)amino]cyclopentyl]methanol
CID 104924452
[2-[[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]amino]cycloheptyl]methanol
CID 133412384
2-tert-butyl-4-N-[(2-methylcyclopropyl)methyl]pyrimidine-4,6-diamine
CID 113464266

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-N-(2-ethylcyclohexyl)pyrimidine-4,6-diamine?
The IUPAC name of 2-tert-butyl-4-N-(2-ethylcyclohexyl)pyrimidine-4,6-diamine (CID 80962087) is 2-tert-butyl-4-N-(2-ethylcyclohexyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 2-tert-butyl-4-N-(2-ethylcyclohexyl)pyrimidine-4,6-diamine?
The canonical SMILES for 2-tert-butyl-4-N-(2-ethylcyclohexyl)pyrimidine-4,6-diamine is CCC1CCCCC1Nc1cc(N)nc(C(C)(C)C)n1.
What is the InChIKey of 2-tert-butyl-4-N-(2-ethylcyclohexyl)pyrimidine-4,6-diamine?
The InChIKey is SSEMYFARVVTFLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4/c1-5-11-8-6-7-9-12(11)18-14-10-13(17)19-15(20-14)16(2,3)4/h10-12H,5-9H2,1-4H3,(H3,17,18,19,20).
What are the key properties of 2-tert-butyl-4-N-(2-ethylcyclohexyl)pyrimidine-4,6-diamine?
2-tert-butyl-4-N-(2-ethylcyclohexyl)pyrimidine-4,6-diamine has a molecular weight of 276.43 g/mol, XLogP of 3.74, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-N-(2-ethylcyclohexyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 80962087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).