5-bromo-6-cyclopropyl-2-(3-methoxyphenyl)-N-methylpyrimidin-4-amine

C15H16BrN3O — CID 66301926

IUPAC5-bromo-6-cyclopropyl-2-(3-methoxyphenyl)-N-methylpyrimidin-4-amine
SMILESCNc1nc(-c2cccc(OC)c2)nc(C2CC2)c1Br
InChIInChI=1S/C15H16BrN3O/c1-17-15-12(16)13(9-6-7-9)18-14(19-15)10-4-3-5-11(8-10)20-2/h3-5,8-9H,6-7H2,1-2H3,(H,17,18,19)
InChIKeyODRVEADGGXXZMR-UHFFFAOYSA-N
MW334.22 g/mol
LogP3.83
Rot. Bonds4

About 5-bromo-6-cyclopropyl-2-(3-methoxyphenyl)-N-methylpyrimidin-4-amine

5-bromo-6-cyclopropyl-2-(3-methoxyphenyl)-N-methylpyrimidin-4-amine (PubChem CID 66301926) has the molecular formula C15H16BrN3O and a molecular weight of 334.22 g/mol. Its IUPAC name is 5-bromo-6-cyclopropyl-2-(3-methoxyphenyl)-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-6-cyclopropyl-2-(3-methoxyphenyl)-N-methylpyrimidin-4-amine
PubChem CID66301926
Molecular FormulaC15H16BrN3O
Molecular Weight334.22 g/mol
Exact Mass333.05
IUPAC Name5-bromo-6-cyclopropyl-2-(3-methoxyphenyl)-N-methylpyrimidin-4-amine
SMILESCNc1nc(-c2cccc(OC)c2)nc(C2CC2)c1Br
InChIInChI=1S/C15H16BrN3O/c1-17-15-12(16)13(9-6-7-9)18-14(19-15)10-4-3-5-11(8-10)20-2/h3-5,8-9H,6-7H2,1-2H3,(H,17,18,19)
InChIKeyODRVEADGGXXZMR-UHFFFAOYSA-N
XLogP3.83
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.22
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-bromo-6-cyclopropyl-2-(3-methoxyphenyl)-N-methylpyrimidin-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

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-cyclopropyl-2-(3-methoxyphenyl)-N-methylpyrimidin-4-amine?
The IUPAC name of 5-bromo-6-cyclopropyl-2-(3-methoxyphenyl)-N-methylpyrimidin-4-amine (CID 66301926) is 5-bromo-6-cyclopropyl-2-(3-methoxyphenyl)-N-methylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-6-cyclopropyl-2-(3-methoxyphenyl)-N-methylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-6-cyclopropyl-2-(3-methoxyphenyl)-N-methylpyrimidin-4-amine is CNc1nc(-c2cccc(OC)c2)nc(C2CC2)c1Br.
What is the InChIKey of 5-bromo-6-cyclopropyl-2-(3-methoxyphenyl)-N-methylpyrimidin-4-amine?
The InChIKey is ODRVEADGGXXZMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrN3O/c1-17-15-12(16)13(9-6-7-9)18-14(19-15)10-4-3-5-11(8-10)20-2/h3-5,8-9H,6-7H2,1-2H3,(H,17,18,19).
What are the key properties of 5-bromo-6-cyclopropyl-2-(3-methoxyphenyl)-N-methylpyrimidin-4-amine?
5-bromo-6-cyclopropyl-2-(3-methoxyphenyl)-N-methylpyrimidin-4-amine has a molecular weight of 334.22 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-cyclopropyl-2-(3-methoxyphenyl)-N-methylpyrimidin-4-amine is sourced from PubChem (CID 66301926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).