2-(2-ethylpyrazol-3-yl)-5-iodo-N-methylpyrimidin-4-amine

C10H12IN5 — CID 114557450

IUPAC2-(2-ethylpyrazol-3-yl)-5-iodo-N-methylpyrimidin-4-amine
SMILESCCn1nccc1-c1ncc(I)c(NC)n1
InChIInChI=1S/C10H12IN5/c1-3-16-8(4-5-14-16)10-13-6-7(11)9(12-2)15-10/h4-6H,3H2,1-2H3,(H,12,13,15)
InChIKeyICMRATXLFZNRDY-UHFFFAOYSA-N
MW329.15 g/mol
LogP2.01
Rot. Bonds3

About 2-(2-ethylpyrazol-3-yl)-5-iodo-N-methylpyrimidin-4-amine

2-(2-ethylpyrazol-3-yl)-5-iodo-N-methylpyrimidin-4-amine (PubChem CID 114557450) has the molecular formula C10H12IN5 and a molecular weight of 329.15 g/mol. Its IUPAC name is 2-(2-ethylpyrazol-3-yl)-5-iodo-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(2-ethylpyrazol-3-yl)-5-iodo-N-methylpyrimidin-4-amine
PubChem CID114557450
Molecular FormulaC10H12IN5
Molecular Weight329.15 g/mol
Exact Mass329.01
IUPAC Name2-(2-ethylpyrazol-3-yl)-5-iodo-N-methylpyrimidin-4-amine
SMILESCCn1nccc1-c1ncc(I)c(NC)n1
InChIInChI=1S/C10H12IN5/c1-3-16-8(4-5-14-16)10-13-6-7(11)9(12-2)15-10/h4-6H,3H2,1-2H3,(H,12,13,15)
InChIKeyICMRATXLFZNRDY-UHFFFAOYSA-N
XLogP2.01
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.15
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-2-(2-ethylpyrazol-3-yl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine
CID 114557431
4,6-dichloro-2-(2-ethylpyrazol-3-yl)-5-iodopyrimidine
CID 114556671
2-(3-chloro-2-pyridinyl)-5-iodo-N-methylpyrimidin-4-amine
CID 103445166
2-(2-ethylpyrazol-3-yl)-N,7,7-trimethyl-6,8-dihydro-5H-quinazolin-5-amine
CID 114557225
5-iodo-N-methyl-2-(3-methyl-2-pyridinyl)pyrimidin-4-amine
CID 66302903
5-iodo-N-methyl-2-(6-methyl-3-pyridinyl)pyrimidin-4-amine
CID 104823417
2-(2-bromophenyl)-5-iodo-N-methylpyrimidin-4-amine
CID 66301471
5-bromo-N,6-dimethyl-2-(2-propylpyrazol-3-yl)pyrimidin-4-amine
CID 114557366
5-iodo-N-methyl-2-(3-propoxyphenyl)pyrimidin-4-amine
CID 66296662
2-(2-ethylpyrazol-3-yl)-5-iodo-4-methyl-1H-pyrimidin-6-one
CID 137005366
[2-(2-ethylpyrazol-3-yl)-1H-imidazol-5-yl]methanol
CID 137005410
2-(ethoxymethyl)-5-iodo-N-methylpyrimidin-4-amine
CID 66303519

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylpyrazol-3-yl)-5-iodo-N-methylpyrimidin-4-amine?
The IUPAC name of 2-(2-ethylpyrazol-3-yl)-5-iodo-N-methylpyrimidin-4-amine (CID 114557450) is 2-(2-ethylpyrazol-3-yl)-5-iodo-N-methylpyrimidin-4-amine.
What is the SMILES notation for 2-(2-ethylpyrazol-3-yl)-5-iodo-N-methylpyrimidin-4-amine?
The canonical SMILES for 2-(2-ethylpyrazol-3-yl)-5-iodo-N-methylpyrimidin-4-amine is CCn1nccc1-c1ncc(I)c(NC)n1.
What is the InChIKey of 2-(2-ethylpyrazol-3-yl)-5-iodo-N-methylpyrimidin-4-amine?
The InChIKey is ICMRATXLFZNRDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12IN5/c1-3-16-8(4-5-14-16)10-13-6-7(11)9(12-2)15-10/h4-6H,3H2,1-2H3,(H,12,13,15).
What are the key properties of 2-(2-ethylpyrazol-3-yl)-5-iodo-N-methylpyrimidin-4-amine?
2-(2-ethylpyrazol-3-yl)-5-iodo-N-methylpyrimidin-4-amine has a molecular weight of 329.15 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylpyrazol-3-yl)-5-iodo-N-methylpyrimidin-4-amine is sourced from PubChem (CID 114557450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).