5-iodo-N-(1-propan-2-ylpyrazol-4-yl)pyrimidin-4-amine

C10H12IN5 — CID 66341929

IUPAC5-iodo-N-(1-propan-2-ylpyrazol-4-yl)pyrimidin-4-amine
SMILESCC(C)n1cc(Nc2ncncc2I)cn1
InChIInChI=1S/C10H12IN5/c1-7(2)16-5-8(3-14-16)15-10-9(11)4-12-6-13-10/h3-7H,1-2H3,(H,12,13,15)
InChIKeyOJDWKBZODXUKSU-UHFFFAOYSA-N
MW329.15 g/mol
LogP2.60
Rot. Bonds3

About 5-iodo-N-(1-propan-2-ylpyrazol-4-yl)pyrimidin-4-amine

5-iodo-N-(1-propan-2-ylpyrazol-4-yl)pyrimidin-4-amine (PubChem CID 66341929) has the molecular formula C10H12IN5 and a molecular weight of 329.15 g/mol. Its IUPAC name is 5-iodo-N-(1-propan-2-ylpyrazol-4-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-iodo-N-(1-propan-2-ylpyrazol-4-yl)pyrimidin-4-amine
PubChem CID66341929
Molecular FormulaC10H12IN5
Molecular Weight329.15 g/mol
Exact Mass329.01
IUPAC Name5-iodo-N-(1-propan-2-ylpyrazol-4-yl)pyrimidin-4-amine
SMILESCC(C)n1cc(Nc2ncncc2I)cn1
InChIInChI=1S/C10H12IN5/c1-7(2)16-5-8(3-14-16)15-10-9(11)4-12-6-13-10/h3-7H,1-2H3,(H,12,13,15)
InChIKeyOJDWKBZODXUKSU-UHFFFAOYSA-N
XLogP2.60
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 ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-iodo-N-(1-propan-2-ylpyrazol-4-yl)pyrimidin-4-amine?
The IUPAC name of 5-iodo-N-(1-propan-2-ylpyrazol-4-yl)pyrimidin-4-amine (CID 66341929) is 5-iodo-N-(1-propan-2-ylpyrazol-4-yl)pyrimidin-4-amine.
What is the SMILES notation for 5-iodo-N-(1-propan-2-ylpyrazol-4-yl)pyrimidin-4-amine?
The canonical SMILES for 5-iodo-N-(1-propan-2-ylpyrazol-4-yl)pyrimidin-4-amine is CC(C)n1cc(Nc2ncncc2I)cn1.
What is the InChIKey of 5-iodo-N-(1-propan-2-ylpyrazol-4-yl)pyrimidin-4-amine?
The InChIKey is OJDWKBZODXUKSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12IN5/c1-7(2)16-5-8(3-14-16)15-10-9(11)4-12-6-13-10/h3-7H,1-2H3,(H,12,13,15).
What are the key properties of 5-iodo-N-(1-propan-2-ylpyrazol-4-yl)pyrimidin-4-amine?
5-iodo-N-(1-propan-2-ylpyrazol-4-yl)pyrimidin-4-amine has a molecular weight of 329.15 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-N-(1-propan-2-ylpyrazol-4-yl)pyrimidin-4-amine is sourced from PubChem (CID 66341929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).