4-N-ethyl-4-N-(4-propan-2-yloxypyrimidin-2-yl)cyclohexane-1,4-diamine

C15H26N4O — CID 115975439

IUPAC4-N-ethyl-4-N-(4-propan-2-yloxypyrimidin-2-yl)cyclohexane-1,4-diamine
SMILESCCN(c1nccc(OC(C)C)n1)C1CCC(N)CC1
InChIInChI=1S/C15H26N4O/c1-4-19(13-7-5-12(16)6-8-13)15-17-10-9-14(18-15)20-11(2)3/h9-13H,4-8,16H2,1-3H3
InChIKeyMQGPBTVXMMZKIA-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.36
Rot. Bonds5

About 4-N-ethyl-4-N-(4-propan-2-yloxypyrimidin-2-yl)cyclohexane-1,4-diamine

4-N-ethyl-4-N-(4-propan-2-yloxypyrimidin-2-yl)cyclohexane-1,4-diamine (PubChem CID 115975439) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is 4-N-ethyl-4-N-(4-propan-2-yloxypyrimidin-2-yl)cyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-ethyl-4-N-(4-propan-2-yloxypyrimidin-2-yl)cyclohexane-1,4-diamine
PubChem CID115975439
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name4-N-ethyl-4-N-(4-propan-2-yloxypyrimidin-2-yl)cyclohexane-1,4-diamine
SMILESCCN(c1nccc(OC(C)C)n1)C1CCC(N)CC1
InChIInChI=1S/C15H26N4O/c1-4-19(13-7-5-12(16)6-8-13)15-17-10-9-14(18-15)20-11(2)3/h9-13H,4-8,16H2,1-3H3
InChIKeyMQGPBTVXMMZKIA-UHFFFAOYSA-N
XLogP2.36
TPSA64.27 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 ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-N-ethyl-4-N-(4-propan-2-yloxypyrimidin-2-yl)cyclohexane-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

Related Compounds

4-N-(4-ethoxypyrimidin-2-yl)-4-N-propylcyclohexane-1,4-diamine
CID 115975442
N-(2-chloroethyl)-N-cyclohexyl-4-propan-2-yloxypyrimidin-2-amine
CID 115975672
1-cyclopropyl-N-methyl-N-(4-propan-2-yloxypyrimidin-2-yl)ethane-1,2-diamine
CID 116653334
N-(2-bromoethyl)-N-cyclopropyl-4-ethoxypyrimidin-2-amine
CID 112639352
N'-cyclopropyl-N'-(4-propoxypyrimidin-2-yl)ethane-1,2-diamine
CID 112639469
N-[(3-aminocyclopentyl)methyl]-4-propan-2-yloxypyrimidin-2-amine
CID 106126729
N'-propan-2-yl-N'-(4-propan-2-yloxypyrimidin-2-yl)propane-1,3-diamine
CID 112636280
4-N-ethyl-4-N-pyrazin-2-ylcyclohexane-1,4-diamine
CID 79111979
N-cyclopropyl-N'-methyl-N'-(4-propan-2-yloxypyrimidin-2-yl)ethane-1,2-diamine
CID 112639126
N-(1-cyclopropylpropan-2-yl)-4-propan-2-yloxypyrimidin-2-amine
CID 112637761
4-[(4-aminocyclohexyl)-ethylamino]pyridine-2-carboxamide
CID 79111622
3-[(4-aminocyclohexyl)-ethylamino]-1-propan-2-ylpyrazin-2-one
CID 79112198

Frequently Asked Questions

What is the IUPAC name of 4-N-ethyl-4-N-(4-propan-2-yloxypyrimidin-2-yl)cyclohexane-1,4-diamine?
The IUPAC name of 4-N-ethyl-4-N-(4-propan-2-yloxypyrimidin-2-yl)cyclohexane-1,4-diamine (CID 115975439) is 4-N-ethyl-4-N-(4-propan-2-yloxypyrimidin-2-yl)cyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-ethyl-4-N-(4-propan-2-yloxypyrimidin-2-yl)cyclohexane-1,4-diamine?
The canonical SMILES for 4-N-ethyl-4-N-(4-propan-2-yloxypyrimidin-2-yl)cyclohexane-1,4-diamine is CCN(c1nccc(OC(C)C)n1)C1CCC(N)CC1.
What is the InChIKey of 4-N-ethyl-4-N-(4-propan-2-yloxypyrimidin-2-yl)cyclohexane-1,4-diamine?
The InChIKey is MQGPBTVXMMZKIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-4-19(13-7-5-12(16)6-8-13)15-17-10-9-14(18-15)20-11(2)3/h9-13H,4-8,16H2,1-3H3.
What are the key properties of 4-N-ethyl-4-N-(4-propan-2-yloxypyrimidin-2-yl)cyclohexane-1,4-diamine?
4-N-ethyl-4-N-(4-propan-2-yloxypyrimidin-2-yl)cyclohexane-1,4-diamine has a molecular weight of 278.40 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-ethyl-4-N-(4-propan-2-yloxypyrimidin-2-yl)cyclohexane-1,4-diamine is sourced from PubChem (CID 115975439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).