6-cyclopropyl-2-(2-cyclopropylphenyl)-5-iodopyrimidin-4-amine

C16H16IN3 — CID 79970668

IUPAC6-cyclopropyl-2-(2-cyclopropylphenyl)-5-iodopyrimidin-4-amine
SMILESNc1nc(-c2ccccc2C2CC2)nc(C2CC2)c1I
InChIInChI=1S/C16H16IN3/c17-13-14(10-7-8-10)19-16(20-15(13)18)12-4-2-1-3-11(12)9-5-6-9/h1-4,9-10H,5-8H2,(H2,18,19,20)
InChIKeyMUVXJUODVZTQBY-UHFFFAOYSA-N
MW377.23 g/mol
LogP4.09
Rot. Bonds3

About 6-cyclopropyl-2-(2-cyclopropylphenyl)-5-iodopyrimidin-4-amine

6-cyclopropyl-2-(2-cyclopropylphenyl)-5-iodopyrimidin-4-amine (PubChem CID 79970668) has the molecular formula C16H16IN3 and a molecular weight of 377.23 g/mol. Its IUPAC name is 6-cyclopropyl-2-(2-cyclopropylphenyl)-5-iodopyrimidin-4-amine.

Molecular Properties

Compound Name6-cyclopropyl-2-(2-cyclopropylphenyl)-5-iodopyrimidin-4-amine
PubChem CID79970668
Molecular FormulaC16H16IN3
Molecular Weight377.23 g/mol
Exact Mass377.04
IUPAC Name6-cyclopropyl-2-(2-cyclopropylphenyl)-5-iodopyrimidin-4-amine
SMILESNc1nc(-c2ccccc2C2CC2)nc(C2CC2)c1I
InChIInChI=1S/C16H16IN3/c17-13-14(10-7-8-10)19-16(20-15(13)18)12-4-2-1-3-11(12)9-5-6-9/h1-4,9-10H,5-8H2,(H2,18,19,20)
InChIKeyMUVXJUODVZTQBY-UHFFFAOYSA-N
XLogP4.09
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.23
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(2-cyclopropylphenyl)-5-iodopyrimidin-4-amine?
The IUPAC name of 6-cyclopropyl-2-(2-cyclopropylphenyl)-5-iodopyrimidin-4-amine (CID 79970668) is 6-cyclopropyl-2-(2-cyclopropylphenyl)-5-iodopyrimidin-4-amine.
What is the SMILES notation for 6-cyclopropyl-2-(2-cyclopropylphenyl)-5-iodopyrimidin-4-amine?
The canonical SMILES for 6-cyclopropyl-2-(2-cyclopropylphenyl)-5-iodopyrimidin-4-amine is Nc1nc(-c2ccccc2C2CC2)nc(C2CC2)c1I.
What is the InChIKey of 6-cyclopropyl-2-(2-cyclopropylphenyl)-5-iodopyrimidin-4-amine?
The InChIKey is MUVXJUODVZTQBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16IN3/c17-13-14(10-7-8-10)19-16(20-15(13)18)12-4-2-1-3-11(12)9-5-6-9/h1-4,9-10H,5-8H2,(H2,18,19,20).
What are the key properties of 6-cyclopropyl-2-(2-cyclopropylphenyl)-5-iodopyrimidin-4-amine?
6-cyclopropyl-2-(2-cyclopropylphenyl)-5-iodopyrimidin-4-amine has a molecular weight of 377.23 g/mol, XLogP of 4.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-2-(2-cyclopropylphenyl)-5-iodopyrimidin-4-amine is sourced from PubChem (CID 79970668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).