5-iodo-2-pentan-3-yl-6-propylpyrimidin-4-amine

C12H20IN3 — CID 66297300

IUPAC5-iodo-2-pentan-3-yl-6-propylpyrimidin-4-amine
SMILESCCCc1nc(C(CC)CC)nc(N)c1I
InChIInChI=1S/C12H20IN3/c1-4-7-9-10(13)11(14)16-12(15-9)8(5-2)6-3/h8H,4-7H2,1-3H3,(H2,14,15,16)
InChIKeyYSTZNKPDABFSOP-UHFFFAOYSA-N
MW333.22 g/mol
LogP3.52
Rot. Bonds5

About 5-iodo-2-pentan-3-yl-6-propylpyrimidin-4-amine

5-iodo-2-pentan-3-yl-6-propylpyrimidin-4-amine (PubChem CID 66297300) has the molecular formula C12H20IN3 and a molecular weight of 333.22 g/mol. Its IUPAC name is 5-iodo-2-pentan-3-yl-6-propylpyrimidin-4-amine.

Molecular Properties

Compound Name5-iodo-2-pentan-3-yl-6-propylpyrimidin-4-amine
PubChem CID66297300
Molecular FormulaC12H20IN3
Molecular Weight333.22 g/mol
Exact Mass333.07
IUPAC Name5-iodo-2-pentan-3-yl-6-propylpyrimidin-4-amine
SMILESCCCc1nc(C(CC)CC)nc(N)c1I
InChIInChI=1S/C12H20IN3/c1-4-7-9-10(13)11(14)16-12(15-9)8(5-2)6-3/h8H,4-7H2,1-3H3,(H2,14,15,16)
InChIKeyYSTZNKPDABFSOP-UHFFFAOYSA-N
XLogP3.52
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.22
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-iodo-2-pentan-3-yl-6-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

Frequently Asked Questions

What is the IUPAC name of 5-iodo-2-pentan-3-yl-6-propylpyrimidin-4-amine?
The IUPAC name of 5-iodo-2-pentan-3-yl-6-propylpyrimidin-4-amine (CID 66297300) is 5-iodo-2-pentan-3-yl-6-propylpyrimidin-4-amine.
What is the SMILES notation for 5-iodo-2-pentan-3-yl-6-propylpyrimidin-4-amine?
The canonical SMILES for 5-iodo-2-pentan-3-yl-6-propylpyrimidin-4-amine is CCCc1nc(C(CC)CC)nc(N)c1I.
What is the InChIKey of 5-iodo-2-pentan-3-yl-6-propylpyrimidin-4-amine?
The InChIKey is YSTZNKPDABFSOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20IN3/c1-4-7-9-10(13)11(14)16-12(15-9)8(5-2)6-3/h8H,4-7H2,1-3H3,(H2,14,15,16).
What are the key properties of 5-iodo-2-pentan-3-yl-6-propylpyrimidin-4-amine?
5-iodo-2-pentan-3-yl-6-propylpyrimidin-4-amine has a molecular weight of 333.22 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-2-pentan-3-yl-6-propylpyrimidin-4-amine is sourced from PubChem (CID 66297300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).