4-(3-iodo-1-propan-2-ylpyrazol-4-yl)pyrimidin-2-amine

C10H12IN5 — CID 51034337

IUPAC4-(3-iodo-1-propan-2-ylpyrazol-4-yl)pyrimidin-2-amine
SMILESCC(C)n1cc(-c2ccnc(N)n2)c(I)n1
InChIInChI=1S/C10H12IN5/c1-6(2)16-5-7(9(11)15-16)8-3-4-13-10(12)14-8/h3-6H,1-2H3,(H2,12,13,14)
InChIKeyKWNDFHCAHOPJIT-UHFFFAOYSA-N
MW329.15 g/mol
LogP2.11
Rot. Bonds2

About 4-(3-iodo-1-propan-2-ylpyrazol-4-yl)pyrimidin-2-amine

4-(3-iodo-1-propan-2-ylpyrazol-4-yl)pyrimidin-2-amine (PubChem CID 51034337) has the molecular formula C10H12IN5 and a molecular weight of 329.15 g/mol. Its IUPAC name is 4-(3-iodo-1-propan-2-ylpyrazol-4-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(3-iodo-1-propan-2-ylpyrazol-4-yl)pyrimidin-2-amine
PubChem CID51034337
Molecular FormulaC10H12IN5
Molecular Weight329.15 g/mol
Exact Mass329.01
IUPAC Name4-(3-iodo-1-propan-2-ylpyrazol-4-yl)pyrimidin-2-amine
SMILESCC(C)n1cc(-c2ccnc(N)n2)c(I)n1
InChIInChI=1S/C10H12IN5/c1-6(2)16-5-7(9(11)15-16)8-3-4-13-10(12)14-8/h3-6H,1-2H3,(H2,12,13,14)
InChIKeyKWNDFHCAHOPJIT-UHFFFAOYSA-N
XLogP2.11
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.15
LogP ≤ 52.11
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 4-(3-iodo-1-propan-2-ylpyrazol-4-yl)pyrimidin-2-amine?
The IUPAC name of 4-(3-iodo-1-propan-2-ylpyrazol-4-yl)pyrimidin-2-amine (CID 51034337) is 4-(3-iodo-1-propan-2-ylpyrazol-4-yl)pyrimidin-2-amine.
What is the SMILES notation for 4-(3-iodo-1-propan-2-ylpyrazol-4-yl)pyrimidin-2-amine?
The canonical SMILES for 4-(3-iodo-1-propan-2-ylpyrazol-4-yl)pyrimidin-2-amine is CC(C)n1cc(-c2ccnc(N)n2)c(I)n1.
What is the InChIKey of 4-(3-iodo-1-propan-2-ylpyrazol-4-yl)pyrimidin-2-amine?
The InChIKey is KWNDFHCAHOPJIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12IN5/c1-6(2)16-5-7(9(11)15-16)8-3-4-13-10(12)14-8/h3-6H,1-2H3,(H2,12,13,14).
What are the key properties of 4-(3-iodo-1-propan-2-ylpyrazol-4-yl)pyrimidin-2-amine?
4-(3-iodo-1-propan-2-ylpyrazol-4-yl)pyrimidin-2-amine has a molecular weight of 329.15 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-iodo-1-propan-2-ylpyrazol-4-yl)pyrimidin-2-amine is sourced from PubChem (CID 51034337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).