N-(4-ethylcyclohexyl)-5-iodopyrimidin-4-amine

C12H18IN3 — CID 66339901

IUPACN-(4-ethylcyclohexyl)-5-iodopyrimidin-4-amine
SMILESCCC1CCC(Nc2ncncc2I)CC1
InChIInChI=1S/C12H18IN3/c1-2-9-3-5-10(6-4-9)16-12-11(13)7-14-8-15-12/h7-10H,2-6H2,1H3,(H,14,15,16)
InChIKeyTUMUHEYSOCXJDZ-UHFFFAOYSA-N
MW331.20 g/mol
LogP3.46
Rot. Bonds3

About N-(4-ethylcyclohexyl)-5-iodopyrimidin-4-amine

N-(4-ethylcyclohexyl)-5-iodopyrimidin-4-amine (PubChem CID 66339901) has the molecular formula C12H18IN3 and a molecular weight of 331.20 g/mol. Its IUPAC name is N-(4-ethylcyclohexyl)-5-iodopyrimidin-4-amine.

Molecular Properties

Compound NameN-(4-ethylcyclohexyl)-5-iodopyrimidin-4-amine
PubChem CID66339901
Molecular FormulaC12H18IN3
Molecular Weight331.20 g/mol
Exact Mass331.05
IUPAC NameN-(4-ethylcyclohexyl)-5-iodopyrimidin-4-amine
SMILESCCC1CCC(Nc2ncncc2I)CC1
InChIInChI=1S/C12H18IN3/c1-2-9-3-5-10(6-4-9)16-12-11(13)7-14-8-15-12/h7-10H,2-6H2,1H3,(H,14,15,16)
InChIKeyTUMUHEYSOCXJDZ-UHFFFAOYSA-N
XLogP3.46
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.20
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(4-ethylcyclohexyl)-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 N-(4-ethylcyclohexyl)-5-iodopyrimidin-4-amine?
The IUPAC name of N-(4-ethylcyclohexyl)-5-iodopyrimidin-4-amine (CID 66339901) is N-(4-ethylcyclohexyl)-5-iodopyrimidin-4-amine.
What is the SMILES notation for N-(4-ethylcyclohexyl)-5-iodopyrimidin-4-amine?
The canonical SMILES for N-(4-ethylcyclohexyl)-5-iodopyrimidin-4-amine is CCC1CCC(Nc2ncncc2I)CC1.
What is the InChIKey of N-(4-ethylcyclohexyl)-5-iodopyrimidin-4-amine?
The InChIKey is TUMUHEYSOCXJDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18IN3/c1-2-9-3-5-10(6-4-9)16-12-11(13)7-14-8-15-12/h7-10H,2-6H2,1H3,(H,14,15,16).
What are the key properties of N-(4-ethylcyclohexyl)-5-iodopyrimidin-4-amine?
N-(4-ethylcyclohexyl)-5-iodopyrimidin-4-amine has a molecular weight of 331.20 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylcyclohexyl)-5-iodopyrimidin-4-amine is sourced from PubChem (CID 66339901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).