2-(1-ethoxy-4-methylcyclohexyl)-6-ethyl-5-iodopyrimidin-4-amine

C15H24IN3O — CID 116776795

IUPAC2-(1-ethoxy-4-methylcyclohexyl)-6-ethyl-5-iodopyrimidin-4-amine
SMILESCCOC1(c2nc(N)c(I)c(CC)n2)CCC(C)CC1
InChIInChI=1S/C15H24IN3O/c1-4-11-12(16)13(17)19-14(18-11)15(20-5-2)8-6-10(3)7-9-15/h10H,4-9H2,1-3H3,(H2,17,18,19)
InChIKeyVLHILCXRXJMQMY-UHFFFAOYSA-N
MW389.28 g/mol
LogP3.67
Rot. Bonds4

About 2-(1-ethoxy-4-methylcyclohexyl)-6-ethyl-5-iodopyrimidin-4-amine

2-(1-ethoxy-4-methylcyclohexyl)-6-ethyl-5-iodopyrimidin-4-amine (PubChem CID 116776795) has the molecular formula C15H24IN3O and a molecular weight of 389.28 g/mol. Its IUPAC name is 2-(1-ethoxy-4-methylcyclohexyl)-6-ethyl-5-iodopyrimidin-4-amine.

Molecular Properties

Compound Name2-(1-ethoxy-4-methylcyclohexyl)-6-ethyl-5-iodopyrimidin-4-amine
PubChem CID116776795
Molecular FormulaC15H24IN3O
Molecular Weight389.28 g/mol
Exact Mass389.10
IUPAC Name2-(1-ethoxy-4-methylcyclohexyl)-6-ethyl-5-iodopyrimidin-4-amine
SMILESCCOC1(c2nc(N)c(I)c(CC)n2)CCC(C)CC1
InChIInChI=1S/C15H24IN3O/c1-4-11-12(16)13(17)19-14(18-11)15(20-5-2)8-6-10(3)7-9-15/h10H,4-9H2,1-3H3,(H2,17,18,19)
InChIKeyVLHILCXRXJMQMY-UHFFFAOYSA-N
XLogP3.67
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.28
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(1-ethoxy-4-methylcyclohexyl)-6-ethyl-5-iodopyrimidin-4-amine 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 2-(1-ethoxy-4-methylcyclohexyl)-6-ethyl-5-iodopyrimidin-4-amine?
The IUPAC name of 2-(1-ethoxy-4-methylcyclohexyl)-6-ethyl-5-iodopyrimidin-4-amine (CID 116776795) is 2-(1-ethoxy-4-methylcyclohexyl)-6-ethyl-5-iodopyrimidin-4-amine.
What is the SMILES notation for 2-(1-ethoxy-4-methylcyclohexyl)-6-ethyl-5-iodopyrimidin-4-amine?
The canonical SMILES for 2-(1-ethoxy-4-methylcyclohexyl)-6-ethyl-5-iodopyrimidin-4-amine is CCOC1(c2nc(N)c(I)c(CC)n2)CCC(C)CC1.
What is the InChIKey of 2-(1-ethoxy-4-methylcyclohexyl)-6-ethyl-5-iodopyrimidin-4-amine?
The InChIKey is VLHILCXRXJMQMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24IN3O/c1-4-11-12(16)13(17)19-14(18-11)15(20-5-2)8-6-10(3)7-9-15/h10H,4-9H2,1-3H3,(H2,17,18,19).
What are the key properties of 2-(1-ethoxy-4-methylcyclohexyl)-6-ethyl-5-iodopyrimidin-4-amine?
2-(1-ethoxy-4-methylcyclohexyl)-6-ethyl-5-iodopyrimidin-4-amine has a molecular weight of 389.28 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethoxy-4-methylcyclohexyl)-6-ethyl-5-iodopyrimidin-4-amine is sourced from PubChem (CID 116776795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).