2-(1-ethylpyrazol-4-yl)-5-iodo-6-propylpyrimidin-4-amine

C12H16IN5 — CID 103570532

IUPAC2-(1-ethylpyrazol-4-yl)-5-iodo-6-propylpyrimidin-4-amine
SMILESCCCc1nc(-c2cnn(CC)c2)nc(N)c1I
InChIInChI=1S/C12H16IN5/c1-3-5-9-10(13)11(14)17-12(16-9)8-6-15-18(4-2)7-8/h6-7H,3-5H2,1-2H3,(H2,14,16,17)
InChIKeyWGFASGGUKLBGGJ-UHFFFAOYSA-N
MW357.20 g/mol
LogP2.50
Rot. Bonds4

About 2-(1-ethylpyrazol-4-yl)-5-iodo-6-propylpyrimidin-4-amine

2-(1-ethylpyrazol-4-yl)-5-iodo-6-propylpyrimidin-4-amine (PubChem CID 103570532) has the molecular formula C12H16IN5 and a molecular weight of 357.20 g/mol. Its IUPAC name is 2-(1-ethylpyrazol-4-yl)-5-iodo-6-propylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(1-ethylpyrazol-4-yl)-5-iodo-6-propylpyrimidin-4-amine
PubChem CID103570532
Molecular FormulaC12H16IN5
Molecular Weight357.20 g/mol
Exact Mass357.05
IUPAC Name2-(1-ethylpyrazol-4-yl)-5-iodo-6-propylpyrimidin-4-amine
SMILESCCCc1nc(-c2cnn(CC)c2)nc(N)c1I
InChIInChI=1S/C12H16IN5/c1-3-5-9-10(13)11(14)17-12(16-9)8-6-15-18(4-2)7-8/h6-7H,3-5H2,1-2H3,(H2,14,16,17)
InChIKeyWGFASGGUKLBGGJ-UHFFFAOYSA-N
XLogP2.50
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.20
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(1-ethylpyrazol-4-yl)-5-iodo-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

Related Compounds

N-ethyl-2-(1-ethylpyrazol-4-yl)-5-iodo-6-propylpyrimidin-4-amine
CID 103570534
5-iodo-2-(6-methyl-3-pyridinyl)-6-propylpyrimidin-4-amine
CID 104823382
N-ethyl-5-iodo-6-propyl-2-(1-propylpyrazol-4-yl)pyrimidin-4-amine
CID 103573026
5-bromo-2-(1-ethylpyrazol-4-yl)pyrimidin-4-amine
CID 103570563
5-iodo-2-(1-propylpyrazol-4-yl)pyrimidin-4-amine
CID 103573052
4-chloro-2-(1-ethylpyrazol-4-yl)-5-iodo-6-(methoxymethyl)pyrimidine
CID 103570156
5-iodo-2-(2-methylphenyl)-6-propylpyrimidin-4-amine
CID 66307571
5-iodo-2-(3-methyl-2-pyridinyl)-6-propylpyrimidin-4-amine
CID 66307763
5-(4-amino-5-iodo-6-propylpyrimidin-2-yl)-2-methoxyphenol
CID 66295374
2-(2-chlorophenyl)-5-iodo-6-propylpyrimidin-4-amine
CID 66307572
N,6-diethyl-5-iodo-2-(1-propylpyrazol-4-yl)pyrimidin-4-amine
CID 103573036
4-chloro-2-(1-ethylpyrazol-4-yl)-5-iodo-6-phenylpyrimidine
CID 103570147

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylpyrazol-4-yl)-5-iodo-6-propylpyrimidin-4-amine?
The IUPAC name of 2-(1-ethylpyrazol-4-yl)-5-iodo-6-propylpyrimidin-4-amine (CID 103570532) is 2-(1-ethylpyrazol-4-yl)-5-iodo-6-propylpyrimidin-4-amine.
What is the SMILES notation for 2-(1-ethylpyrazol-4-yl)-5-iodo-6-propylpyrimidin-4-amine?
The canonical SMILES for 2-(1-ethylpyrazol-4-yl)-5-iodo-6-propylpyrimidin-4-amine is CCCc1nc(-c2cnn(CC)c2)nc(N)c1I.
What is the InChIKey of 2-(1-ethylpyrazol-4-yl)-5-iodo-6-propylpyrimidin-4-amine?
The InChIKey is WGFASGGUKLBGGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16IN5/c1-3-5-9-10(13)11(14)17-12(16-9)8-6-15-18(4-2)7-8/h6-7H,3-5H2,1-2H3,(H2,14,16,17).
What are the key properties of 2-(1-ethylpyrazol-4-yl)-5-iodo-6-propylpyrimidin-4-amine?
2-(1-ethylpyrazol-4-yl)-5-iodo-6-propylpyrimidin-4-amine has a molecular weight of 357.20 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylpyrazol-4-yl)-5-iodo-6-propylpyrimidin-4-amine is sourced from PubChem (CID 103570532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).