5-bromo-6-cyclopropyl-2-(1-phenylcyclopropyl)pyrimidin-4-amine

C16H16BrN3 — CID 66304571

IUPAC5-bromo-6-cyclopropyl-2-(1-phenylcyclopropyl)pyrimidin-4-amine
SMILESNc1nc(C2(c3ccccc3)CC2)nc(C2CC2)c1Br
InChIInChI=1S/C16H16BrN3/c17-12-13(10-6-7-10)19-15(20-14(12)18)16(8-9-16)11-4-2-1-3-5-11/h1-5,10H,6-9H2,(H2,18,19,20)
InChIKeyOWLYLQWEGVZNKU-UHFFFAOYSA-N
MW330.23 g/mol
LogP3.78
Rot. Bonds3

About 5-bromo-6-cyclopropyl-2-(1-phenylcyclopropyl)pyrimidin-4-amine

5-bromo-6-cyclopropyl-2-(1-phenylcyclopropyl)pyrimidin-4-amine (PubChem CID 66304571) has the molecular formula C16H16BrN3 and a molecular weight of 330.23 g/mol. Its IUPAC name is 5-bromo-6-cyclopropyl-2-(1-phenylcyclopropyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-6-cyclopropyl-2-(1-phenylcyclopropyl)pyrimidin-4-amine
PubChem CID66304571
Molecular FormulaC16H16BrN3
Molecular Weight330.23 g/mol
Exact Mass329.05
IUPAC Name5-bromo-6-cyclopropyl-2-(1-phenylcyclopropyl)pyrimidin-4-amine
SMILESNc1nc(C2(c3ccccc3)CC2)nc(C2CC2)c1Br
InChIInChI=1S/C16H16BrN3/c17-12-13(10-6-7-10)19-15(20-14(12)18)16(8-9-16)11-4-2-1-3-5-11/h1-5,10H,6-9H2,(H2,18,19,20)
InChIKeyOWLYLQWEGVZNKU-UHFFFAOYSA-N
XLogP3.78
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.23
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-cyclopropyl-2-(1-phenylcyclopropyl)pyrimidin-4-amine?
The IUPAC name of 5-bromo-6-cyclopropyl-2-(1-phenylcyclopropyl)pyrimidin-4-amine (CID 66304571) is 5-bromo-6-cyclopropyl-2-(1-phenylcyclopropyl)pyrimidin-4-amine.
What is the SMILES notation for 5-bromo-6-cyclopropyl-2-(1-phenylcyclopropyl)pyrimidin-4-amine?
The canonical SMILES for 5-bromo-6-cyclopropyl-2-(1-phenylcyclopropyl)pyrimidin-4-amine is Nc1nc(C2(c3ccccc3)CC2)nc(C2CC2)c1Br.
What is the InChIKey of 5-bromo-6-cyclopropyl-2-(1-phenylcyclopropyl)pyrimidin-4-amine?
The InChIKey is OWLYLQWEGVZNKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrN3/c17-12-13(10-6-7-10)19-15(20-14(12)18)16(8-9-16)11-4-2-1-3-5-11/h1-5,10H,6-9H2,(H2,18,19,20).
What are the key properties of 5-bromo-6-cyclopropyl-2-(1-phenylcyclopropyl)pyrimidin-4-amine?
5-bromo-6-cyclopropyl-2-(1-phenylcyclopropyl)pyrimidin-4-amine has a molecular weight of 330.23 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-cyclopropyl-2-(1-phenylcyclopropyl)pyrimidin-4-amine is sourced from PubChem (CID 66304571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).