6-cyclopropyl-2-(1,5-dimethylpyrazol-4-yl)-5-iodo-N-methylpyrimidin-4-amine

C13H16IN5 — CID 79584414

IUPAC6-cyclopropyl-2-(1,5-dimethylpyrazol-4-yl)-5-iodo-N-methylpyrimidin-4-amine
SMILESCNc1nc(-c2cnn(C)c2C)nc(C2CC2)c1I
InChIInChI=1S/C13H16IN5/c1-7-9(6-16-19(7)3)12-17-11(8-4-5-8)10(14)13(15-2)18-12/h6,8H,4-5H2,1-3H3,(H,15,17,18)
InChIKeyBTQNEIBRBCYGJF-UHFFFAOYSA-N
MW369.21 g/mol
LogP2.71
Rot. Bonds3

About 6-cyclopropyl-2-(1,5-dimethylpyrazol-4-yl)-5-iodo-N-methylpyrimidin-4-amine

6-cyclopropyl-2-(1,5-dimethylpyrazol-4-yl)-5-iodo-N-methylpyrimidin-4-amine (PubChem CID 79584414) has the molecular formula C13H16IN5 and a molecular weight of 369.21 g/mol. Its IUPAC name is 6-cyclopropyl-2-(1,5-dimethylpyrazol-4-yl)-5-iodo-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-cyclopropyl-2-(1,5-dimethylpyrazol-4-yl)-5-iodo-N-methylpyrimidin-4-amine
PubChem CID79584414
Molecular FormulaC13H16IN5
Molecular Weight369.21 g/mol
Exact Mass369.05
IUPAC Name6-cyclopropyl-2-(1,5-dimethylpyrazol-4-yl)-5-iodo-N-methylpyrimidin-4-amine
SMILESCNc1nc(-c2cnn(C)c2C)nc(C2CC2)c1I
InChIInChI=1S/C13H16IN5/c1-7-9(6-16-19(7)3)12-17-11(8-4-5-8)10(14)13(15-2)18-12/h6,8H,4-5H2,1-3H3,(H,15,17,18)
InChIKeyBTQNEIBRBCYGJF-UHFFFAOYSA-N
XLogP2.71
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.21
LogP ≤ 52.71
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-iodo-N-methylpyrimidin-4-amine?
The IUPAC name of 6-cyclopropyl-2-(1,5-dimethylpyrazol-4-yl)-5-iodo-N-methylpyrimidin-4-amine (CID 79584414) is 6-cyclopropyl-2-(1,5-dimethylpyrazol-4-yl)-5-iodo-N-methylpyrimidin-4-amine.
What is the SMILES notation for 6-cyclopropyl-2-(1,5-dimethylpyrazol-4-yl)-5-iodo-N-methylpyrimidin-4-amine?
The canonical SMILES for 6-cyclopropyl-2-(1,5-dimethylpyrazol-4-yl)-5-iodo-N-methylpyrimidin-4-amine is CNc1nc(-c2cnn(C)c2C)nc(C2CC2)c1I.
What is the InChIKey of 6-cyclopropyl-2-(1,5-dimethylpyrazol-4-yl)-5-iodo-N-methylpyrimidin-4-amine?
The InChIKey is BTQNEIBRBCYGJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16IN5/c1-7-9(6-16-19(7)3)12-17-11(8-4-5-8)10(14)13(15-2)18-12/h6,8H,4-5H2,1-3H3,(H,15,17,18).
What are the key properties of 6-cyclopropyl-2-(1,5-dimethylpyrazol-4-yl)-5-iodo-N-methylpyrimidin-4-amine?
6-cyclopropyl-2-(1,5-dimethylpyrazol-4-yl)-5-iodo-N-methylpyrimidin-4-amine has a molecular weight of 369.21 g/mol, XLogP of 2.71, 3 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-iodo-N-methylpyrimidin-4-amine is sourced from PubChem (CID 79584414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).