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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-bromo-6-cyclopropyl-N-methyl-2-(1-phenylcyclopropyl)pyrimidin-4-amine
CID 66302540
4-cyclopropyl-2-(1-phenylcyclopropyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114739578
6-(1-phenylcyclopropyl)-1,3,5-triazine-2,4-diamine
CID 112681528
5-bromo-6-(methoxymethyl)-2-(1-phenylcyclobutyl)pyrimidin-4-amine
CID 66298979
5-bromo-6-cyclopropyl-2-(2,3-dihydro-1H-inden-2-yl)pyrimidin-4-amine
CID 66303147
6-methyl-2-(1-phenylcyclopropyl)-5-propan-2-ylpyrimidin-4-amine
CID 63078471
5-bromo-6-cyclopropyl-2-(phenoxymethyl)pyrimidin-4-amine
CID 66303546
4-chloro-6-cyclopropyl-2-(1-phenylcyclopentyl)pyrimidine
CID 63405805
4-chloro-6-cyclopropyl-2-(1-phenylcyclobutyl)pyrimidine
CID 63355022
5-(aminomethyl)-2-(1-phenylcyclopropyl)pyrimidin-4-amine
CID 64574343
6-cyclopropyl-N-methyl-2-(1-phenylcyclobutyl)pyrimidin-4-amine
CID 63354344
5-bromo-6-cyclopropyl-2-quinolin-2-ylpyrimidin-4-amine
CID 66303348

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).