6-butoxy-4-N-cyclohexyl-2-ethylpyrimidine-4,5-diamine

C16H28N4O — CID 82455770

IUPAC6-butoxy-4-N-cyclohexyl-2-ethylpyrimidine-4,5-diamine
SMILESCCCCOc1nc(CC)nc(NC2CCCCC2)c1N
InChIInChI=1S/C16H28N4O/c1-3-5-11-21-16-14(17)15(19-13(4-2)20-16)18-12-9-7-6-8-10-12/h12H,3-11,17H2,1-2H3,(H,18,19,20)
InChIKeyLLNCGTANIZIPMD-UHFFFAOYSA-N
MW292.43 g/mol
LogP3.54
Rot. Bonds7

About 6-butoxy-4-N-cyclohexyl-2-ethylpyrimidine-4,5-diamine

6-butoxy-4-N-cyclohexyl-2-ethylpyrimidine-4,5-diamine (PubChem CID 82455770) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is 6-butoxy-4-N-cyclohexyl-2-ethylpyrimidine-4,5-diamine.

Molecular Properties

Compound Name6-butoxy-4-N-cyclohexyl-2-ethylpyrimidine-4,5-diamine
PubChem CID82455770
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC Name6-butoxy-4-N-cyclohexyl-2-ethylpyrimidine-4,5-diamine
SMILESCCCCOc1nc(CC)nc(NC2CCCCC2)c1N
InChIInChI=1S/C16H28N4O/c1-3-5-11-21-16-14(17)15(19-13(4-2)20-16)18-12-9-7-6-8-10-12/h12H,3-11,17H2,1-2H3,(H,18,19,20)
InChIKeyLLNCGTANIZIPMD-UHFFFAOYSA-N
XLogP3.54
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 6-butoxy-4-N-cyclohexyl-2-ethylpyrimidine-4,5-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

6-butoxy-4-N-cycloheptyl-2-methylpyrimidine-4,5-diamine
CID 82455497
6-butoxy-4-N-butyl-2-ethylpyrimidine-4,5-diamine
CID 82455756
2-cyclohexyl-4-N-cyclopropyl-6-propoxypyrimidine-4,5-diamine
CID 82458504
4-N-cycloheptyl-2-propan-2-yl-6-propoxypyrimidine-4,5-diamine
CID 82455919
2-ethyl-6-(2-methoxyethoxy)-4-N-(2-methylcyclohexyl)pyrimidine-4,5-diamine
CID 82455786
N-cyclohexyl-2-ethyl-5-nitro-6-propoxypyrimidin-4-amine
CID 82454945
6-butoxy-N-cycloheptyl-2-ethylpyrimidin-4-amine
CID 82454357
4-N,2-diethyl-6-propoxypyrimidine-4,5-diamine
CID 82455679
4-N-cyclopentyl-6-(2-methylpropoxy)-2-(2-methylpropyl)pyrimidine-4,5-diamine
CID 82458313
4-N-cyclohexyl-2-cyclopropyl-6-ethoxypyrimidine-4,5-diamine
CID 82456242
2-ethyl-6-methoxy-4-N-(2-methylcyclohexyl)pyrimidine-4,5-diamine
CID 82455593
6-butoxy-4-N-hexyl-2-(methoxymethyl)pyrimidine-4,5-diamine
CID 82458664

Frequently Asked Questions

What is the IUPAC name of 6-butoxy-4-N-cyclohexyl-2-ethylpyrimidine-4,5-diamine?
The IUPAC name of 6-butoxy-4-N-cyclohexyl-2-ethylpyrimidine-4,5-diamine (CID 82455770) is 6-butoxy-4-N-cyclohexyl-2-ethylpyrimidine-4,5-diamine.
What is the SMILES notation for 6-butoxy-4-N-cyclohexyl-2-ethylpyrimidine-4,5-diamine?
The canonical SMILES for 6-butoxy-4-N-cyclohexyl-2-ethylpyrimidine-4,5-diamine is CCCCOc1nc(CC)nc(NC2CCCCC2)c1N.
What is the InChIKey of 6-butoxy-4-N-cyclohexyl-2-ethylpyrimidine-4,5-diamine?
The InChIKey is LLNCGTANIZIPMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O/c1-3-5-11-21-16-14(17)15(19-13(4-2)20-16)18-12-9-7-6-8-10-12/h12H,3-11,17H2,1-2H3,(H,18,19,20).
What are the key properties of 6-butoxy-4-N-cyclohexyl-2-ethylpyrimidine-4,5-diamine?
6-butoxy-4-N-cyclohexyl-2-ethylpyrimidine-4,5-diamine has a molecular weight of 292.43 g/mol, XLogP of 3.54, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butoxy-4-N-cyclohexyl-2-ethylpyrimidine-4,5-diamine is sourced from PubChem (CID 82455770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).