2-cyclopentyl-5-iodo-N-propylpyrimidin-4-amine

C12H18IN3 — CID 66303133

IUPAC2-cyclopentyl-5-iodo-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(C2CCCC2)ncc1I
InChIInChI=1S/C12H18IN3/c1-2-7-14-12-10(13)8-15-11(16-12)9-5-3-4-6-9/h8-9H,2-7H2,1H3,(H,14,15,16)
InChIKeyDRBXTSXXMBTTAL-UHFFFAOYSA-N
MW331.20 g/mol
LogP3.56
Rot. Bonds4

About 2-cyclopentyl-5-iodo-N-propylpyrimidin-4-amine

2-cyclopentyl-5-iodo-N-propylpyrimidin-4-amine (PubChem CID 66303133) has the molecular formula C12H18IN3 and a molecular weight of 331.20 g/mol. Its IUPAC name is 2-cyclopentyl-5-iodo-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name2-cyclopentyl-5-iodo-N-propylpyrimidin-4-amine
PubChem CID66303133
Molecular FormulaC12H18IN3
Molecular Weight331.20 g/mol
Exact Mass331.05
IUPAC Name2-cyclopentyl-5-iodo-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(C2CCCC2)ncc1I
InChIInChI=1S/C12H18IN3/c1-2-7-14-12-10(13)8-15-11(16-12)9-5-3-4-6-9/h8-9H,2-7H2,1H3,(H,14,15,16)
InChIKeyDRBXTSXXMBTTAL-UHFFFAOYSA-N
XLogP3.56
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.20
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-cyclopentyl-5-iodo-N-propylpyrimidin-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

Related Compounds

5-bromo-2-cyclopentyl-N-propylpyrimidin-4-amine
CID 66302677
2-cyclooctyl-5-iodo-N-methylpyrimidin-4-amine
CID 80611090
N-ethyl-5-iodo-2-(4-propan-2-ylcyclohexyl)pyrimidin-4-amine
CID 66303935
2-(5,6-dimethyl-1,4-dithian-2-yl)-5-iodo-N-propylpyrimidin-4-amine
CID 103346672
2-(4-cyclopropylphenyl)-5-iodo-N-propylpyrimidin-4-amine
CID 79980922
2-cyclobutyl-6-ethyl-5-iodo-N-propylpyrimidin-4-amine
CID 66299102
2-(4-ethylcyclohexyl)-5-iodo-N-methylpyrimidin-4-amine
CID 66302905
2-cyclohexyl-5,6-dimethyl-N-propylpyrimidin-4-amine
CID 63485968
2-(3-ethylcyclohexyl)-5-iodo-N-methylpyrimidin-4-amine
CID 66302086
5-iodo-N-propyl-2-(4-propylmorpholin-2-yl)pyrimidin-4-amine
CID 79657646
2-cyclooctyl-N-propylthieno[2,3-d]pyrimidin-4-amine
CID 80610788
2-cyclopentyl-5-iodopyrimidin-4-amine
CID 66303504

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-5-iodo-N-propylpyrimidin-4-amine?
The IUPAC name of 2-cyclopentyl-5-iodo-N-propylpyrimidin-4-amine (CID 66303133) is 2-cyclopentyl-5-iodo-N-propylpyrimidin-4-amine.
What is the SMILES notation for 2-cyclopentyl-5-iodo-N-propylpyrimidin-4-amine?
The canonical SMILES for 2-cyclopentyl-5-iodo-N-propylpyrimidin-4-amine is CCCNc1nc(C2CCCC2)ncc1I.
What is the InChIKey of 2-cyclopentyl-5-iodo-N-propylpyrimidin-4-amine?
The InChIKey is DRBXTSXXMBTTAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18IN3/c1-2-7-14-12-10(13)8-15-11(16-12)9-5-3-4-6-9/h8-9H,2-7H2,1H3,(H,14,15,16).
What are the key properties of 2-cyclopentyl-5-iodo-N-propylpyrimidin-4-amine?
2-cyclopentyl-5-iodo-N-propylpyrimidin-4-amine has a molecular weight of 331.20 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-5-iodo-N-propylpyrimidin-4-amine is sourced from PubChem (CID 66303133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).