6-cyclopropyl-2-(1,5-dimethylpyrazol-4-yl)-5-iodopyrimidin-4-amine

C12H14IN5 — CID 79584322

IUPAC6-cyclopropyl-2-(1,5-dimethylpyrazol-4-yl)-5-iodopyrimidin-4-amine
SMILESCc1c(-c2nc(N)c(I)c(C3CC3)n2)cnn1C
InChIInChI=1S/C12H14IN5/c1-6-8(5-15-18(6)2)12-16-10(7-3-4-7)9(13)11(14)17-12/h5,7H,3-4H2,1-2H3,(H2,14,16,17)
InChIKeySAOKOLWCQNVSRC-UHFFFAOYSA-N
MW355.18 g/mol
LogP2.25
Rot. Bonds2

About 6-cyclopropyl-2-(1,5-dimethylpyrazol-4-yl)-5-iodopyrimidin-4-amine

6-cyclopropyl-2-(1,5-dimethylpyrazol-4-yl)-5-iodopyrimidin-4-amine (PubChem CID 79584322) has the molecular formula C12H14IN5 and a molecular weight of 355.18 g/mol. Its IUPAC name is 6-cyclopropyl-2-(1,5-dimethylpyrazol-4-yl)-5-iodopyrimidin-4-amine.

Molecular Properties

Compound Name6-cyclopropyl-2-(1,5-dimethylpyrazol-4-yl)-5-iodopyrimidin-4-amine
PubChem CID79584322
Molecular FormulaC12H14IN5
Molecular Weight355.18 g/mol
Exact Mass355.03
IUPAC Name6-cyclopropyl-2-(1,5-dimethylpyrazol-4-yl)-5-iodopyrimidin-4-amine
SMILESCc1c(-c2nc(N)c(I)c(C3CC3)n2)cnn1C
InChIInChI=1S/C12H14IN5/c1-6-8(5-15-18(6)2)12-16-10(7-3-4-7)9(13)11(14)17-12/h5,7H,3-4H2,1-2H3,(H2,14,16,17)
InChIKeySAOKOLWCQNVSRC-UHFFFAOYSA-N
XLogP2.25
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.18
LogP ≤ 52.25
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 6-cyclopropyl-2-(1,5-dimethylpyrazol-4-yl)-5-iodopyrimidin-4-amine?
The IUPAC name of 6-cyclopropyl-2-(1,5-dimethylpyrazol-4-yl)-5-iodopyrimidin-4-amine (CID 79584322) is 6-cyclopropyl-2-(1,5-dimethylpyrazol-4-yl)-5-iodopyrimidin-4-amine.
What is the SMILES notation for 6-cyclopropyl-2-(1,5-dimethylpyrazol-4-yl)-5-iodopyrimidin-4-amine?
The canonical SMILES for 6-cyclopropyl-2-(1,5-dimethylpyrazol-4-yl)-5-iodopyrimidin-4-amine is Cc1c(-c2nc(N)c(I)c(C3CC3)n2)cnn1C.
What is the InChIKey of 6-cyclopropyl-2-(1,5-dimethylpyrazol-4-yl)-5-iodopyrimidin-4-amine?
The InChIKey is SAOKOLWCQNVSRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14IN5/c1-6-8(5-15-18(6)2)12-16-10(7-3-4-7)9(13)11(14)17-12/h5,7H,3-4H2,1-2H3,(H2,14,16,17).
What are the key properties of 6-cyclopropyl-2-(1,5-dimethylpyrazol-4-yl)-5-iodopyrimidin-4-amine?
6-cyclopropyl-2-(1,5-dimethylpyrazol-4-yl)-5-iodopyrimidin-4-amine has a molecular weight of 355.18 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-2-(1,5-dimethylpyrazol-4-yl)-5-iodopyrimidin-4-amine is sourced from PubChem (CID 79584322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).