4-N-(6-ethoxy-2-methylpyrimidin-4-yl)-1-N,4-N-dimethylcyclohexane-1,4-diamine

C15H26N4O — CID 79110806

IUPAC4-N-(6-ethoxy-2-methylpyrimidin-4-yl)-1-N,4-N-dimethylcyclohexane-1,4-diamine
SMILESCCOc1cc(N(C)C2CCC(NC)CC2)nc(C)n1
InChIInChI=1S/C15H26N4O/c1-5-20-15-10-14(17-11(2)18-15)19(4)13-8-6-12(16-3)7-9-13/h10,12-13,16H,5-9H2,1-4H3
InChIKeyGHNIDNDIMAINMZ-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.15
Rot. Bonds5

About 4-N-(6-ethoxy-2-methylpyrimidin-4-yl)-1-N,4-N-dimethylcyclohexane-1,4-diamine

4-N-(6-ethoxy-2-methylpyrimidin-4-yl)-1-N,4-N-dimethylcyclohexane-1,4-diamine (PubChem CID 79110806) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is 4-N-(6-ethoxy-2-methylpyrimidin-4-yl)-1-N,4-N-dimethylcyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-(6-ethoxy-2-methylpyrimidin-4-yl)-1-N,4-N-dimethylcyclohexane-1,4-diamine
PubChem CID79110806
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name4-N-(6-ethoxy-2-methylpyrimidin-4-yl)-1-N,4-N-dimethylcyclohexane-1,4-diamine
SMILESCCOc1cc(N(C)C2CCC(NC)CC2)nc(C)n1
InChIInChI=1S/C15H26N4O/c1-5-20-15-10-14(17-11(2)18-15)19(4)13-8-6-12(16-3)7-9-13/h10,12-13,16H,5-9H2,1-4H3
InChIKeyGHNIDNDIMAINMZ-UHFFFAOYSA-N
XLogP2.15
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-N-(6-ethoxy-2-methylpyrimidin-4-yl)-1-N,4-N-dimethylcyclohexane-1,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-N-(6-ethoxy-2-methylpyrimidin-4-yl)-1-N,4-N-dimethylcyclohexane-1,4-diamine?
The IUPAC name of 4-N-(6-ethoxy-2-methylpyrimidin-4-yl)-1-N,4-N-dimethylcyclohexane-1,4-diamine (CID 79110806) is 4-N-(6-ethoxy-2-methylpyrimidin-4-yl)-1-N,4-N-dimethylcyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-(6-ethoxy-2-methylpyrimidin-4-yl)-1-N,4-N-dimethylcyclohexane-1,4-diamine?
The canonical SMILES for 4-N-(6-ethoxy-2-methylpyrimidin-4-yl)-1-N,4-N-dimethylcyclohexane-1,4-diamine is CCOc1cc(N(C)C2CCC(NC)CC2)nc(C)n1.
What is the InChIKey of 4-N-(6-ethoxy-2-methylpyrimidin-4-yl)-1-N,4-N-dimethylcyclohexane-1,4-diamine?
The InChIKey is GHNIDNDIMAINMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-5-20-15-10-14(17-11(2)18-15)19(4)13-8-6-12(16-3)7-9-13/h10,12-13,16H,5-9H2,1-4H3.
What are the key properties of 4-N-(6-ethoxy-2-methylpyrimidin-4-yl)-1-N,4-N-dimethylcyclohexane-1,4-diamine?
4-N-(6-ethoxy-2-methylpyrimidin-4-yl)-1-N,4-N-dimethylcyclohexane-1,4-diamine has a molecular weight of 278.40 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(6-ethoxy-2-methylpyrimidin-4-yl)-1-N,4-N-dimethylcyclohexane-1,4-diamine is sourced from PubChem (CID 79110806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).