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

C14H22IN5 — CID 79666719

IUPAC6-cyclopropyl-2-(1,4-dimethylpiperazin-2-yl)-5-iodo-N-methylpyrimidin-4-amine
SMILESCNc1nc(C2CN(C)CCN2C)nc(C2CC2)c1I
InChIInChI=1S/C14H22IN5/c1-16-14-11(15)12(9-4-5-9)17-13(18-14)10-8-19(2)6-7-20(10)3/h9-10H,4-8H2,1-3H3,(H,16,17,18)
InChIKeyJFLDMJFWZKFLJM-UHFFFAOYSA-N
MW387.27 g/mol
LogP1.92
Rot. Bonds3

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

6-cyclopropyl-2-(1,4-dimethylpiperazin-2-yl)-5-iodo-N-methylpyrimidin-4-amine (PubChem CID 79666719) has the molecular formula C14H22IN5 and a molecular weight of 387.27 g/mol. Its IUPAC name is 6-cyclopropyl-2-(1,4-dimethylpiperazin-2-yl)-5-iodo-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-cyclopropyl-2-(1,4-dimethylpiperazin-2-yl)-5-iodo-N-methylpyrimidin-4-amine
PubChem CID79666719
Molecular FormulaC14H22IN5
Molecular Weight387.27 g/mol
Exact Mass387.09
IUPAC Name6-cyclopropyl-2-(1,4-dimethylpiperazin-2-yl)-5-iodo-N-methylpyrimidin-4-amine
SMILESCNc1nc(C2CN(C)CCN2C)nc(C2CC2)c1I
InChIInChI=1S/C14H22IN5/c1-16-14-11(15)12(9-4-5-9)17-13(18-14)10-8-19(2)6-7-20(10)3/h9-10H,4-8H2,1-3H3,(H,16,17,18)
InChIKeyJFLDMJFWZKFLJM-UHFFFAOYSA-N
XLogP1.92
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.27
LogP ≤ 51.92
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-(1,4-dimethylpiperazin-2-yl)-5-iodo-N-methylpyrimidin-4-amine?
The IUPAC name of 6-cyclopropyl-2-(1,4-dimethylpiperazin-2-yl)-5-iodo-N-methylpyrimidin-4-amine (CID 79666719) is 6-cyclopropyl-2-(1,4-dimethylpiperazin-2-yl)-5-iodo-N-methylpyrimidin-4-amine.
What is the SMILES notation for 6-cyclopropyl-2-(1,4-dimethylpiperazin-2-yl)-5-iodo-N-methylpyrimidin-4-amine?
The canonical SMILES for 6-cyclopropyl-2-(1,4-dimethylpiperazin-2-yl)-5-iodo-N-methylpyrimidin-4-amine is CNc1nc(C2CN(C)CCN2C)nc(C2CC2)c1I.
What is the InChIKey of 6-cyclopropyl-2-(1,4-dimethylpiperazin-2-yl)-5-iodo-N-methylpyrimidin-4-amine?
The InChIKey is JFLDMJFWZKFLJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22IN5/c1-16-14-11(15)12(9-4-5-9)17-13(18-14)10-8-19(2)6-7-20(10)3/h9-10H,4-8H2,1-3H3,(H,16,17,18).
What are the key properties of 6-cyclopropyl-2-(1,4-dimethylpiperazin-2-yl)-5-iodo-N-methylpyrimidin-4-amine?
6-cyclopropyl-2-(1,4-dimethylpiperazin-2-yl)-5-iodo-N-methylpyrimidin-4-amine has a molecular weight of 387.27 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-2-(1,4-dimethylpiperazin-2-yl)-5-iodo-N-methylpyrimidin-4-amine is sourced from PubChem (CID 79666719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).