5-bromo-6-cyclopropyl-N-methyl-2-(2-methylphenyl)pyrimidin-4-amine

C15H16BrN3 — CID 66304583

IUPAC5-bromo-6-cyclopropyl-N-methyl-2-(2-methylphenyl)pyrimidin-4-amine
SMILESCNc1nc(-c2ccccc2C)nc(C2CC2)c1Br
InChIInChI=1S/C15H16BrN3/c1-9-5-3-4-6-11(9)14-18-13(10-7-8-10)12(16)15(17-2)19-14/h3-6,10H,7-8H2,1-2H3,(H,17,18,19)
InChIKeyJSWCMNBWJCEKIO-UHFFFAOYSA-N
MW318.22 g/mol
LogP4.13
Rot. Bonds3

About 5-bromo-6-cyclopropyl-N-methyl-2-(2-methylphenyl)pyrimidin-4-amine

5-bromo-6-cyclopropyl-N-methyl-2-(2-methylphenyl)pyrimidin-4-amine (PubChem CID 66304583) has the molecular formula C15H16BrN3 and a molecular weight of 318.22 g/mol. Its IUPAC name is 5-bromo-6-cyclopropyl-N-methyl-2-(2-methylphenyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-6-cyclopropyl-N-methyl-2-(2-methylphenyl)pyrimidin-4-amine
PubChem CID66304583
Molecular FormulaC15H16BrN3
Molecular Weight318.22 g/mol
Exact Mass317.05
IUPAC Name5-bromo-6-cyclopropyl-N-methyl-2-(2-methylphenyl)pyrimidin-4-amine
SMILESCNc1nc(-c2ccccc2C)nc(C2CC2)c1Br
InChIInChI=1S/C15H16BrN3/c1-9-5-3-4-6-11(9)14-18-13(10-7-8-10)12(16)15(17-2)19-14/h3-6,10H,7-8H2,1-2H3,(H,17,18,19)
InChIKeyJSWCMNBWJCEKIO-UHFFFAOYSA-N
XLogP4.13
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.22
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-2-(4-bromo-3,5-dimethylphenyl)-6-cyclopropyl-N-methylpyrimidin-4-amine
CID 114331016
5-bromo-6-cyclopropyl-N-methyl-2-(2,4,6-trimethylphenyl)pyrimidin-4-amine
CID 66296102
5-bromo-6-cyclopropyl-2-(4-fluorophenyl)-N-methylpyrimidin-4-amine
CID 66304168
5-bromo-6-cyclopropyl-N-methyl-2-pyridin-3-ylpyrimidin-4-amine
CID 66302950
5-bromo-2-(3-bromothiophen-2-yl)-6-cyclopropyl-N-methylpyrimidin-4-amine
CID 115381230
4-chloro-6-cyclopropyl-5-iodo-2-(2-methylphenyl)pyrimidine
CID 66292684
5-bromo-2-(2-chlorophenyl)-6-cyclopropyl-N-ethylpyrimidin-4-amine
CID 66303166
5-bromo-6-cyclopropyl-2-(3-methoxyphenyl)-N-methylpyrimidin-4-amine
CID 66301926
2-(1,3-benzodioxol-5-yl)-5-bromo-6-cyclopropyl-N-methylpyrimidin-4-amine
CID 66297835
5-bromo-2-(2-cyclopropylphenyl)-N-methyl-6-propylpyrimidin-4-amine
CID 79973238
6-bromo-N-methyl-2-(2-methylphenyl)quinazolin-4-amine
CID 64981376
5-bromo-6-cyclopropyl-N-methyl-2-(1-phenylcyclopropyl)pyrimidin-4-amine
CID 66302540

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-cyclopropyl-N-methyl-2-(2-methylphenyl)pyrimidin-4-amine?
The IUPAC name of 5-bromo-6-cyclopropyl-N-methyl-2-(2-methylphenyl)pyrimidin-4-amine (CID 66304583) is 5-bromo-6-cyclopropyl-N-methyl-2-(2-methylphenyl)pyrimidin-4-amine.
What is the SMILES notation for 5-bromo-6-cyclopropyl-N-methyl-2-(2-methylphenyl)pyrimidin-4-amine?
The canonical SMILES for 5-bromo-6-cyclopropyl-N-methyl-2-(2-methylphenyl)pyrimidin-4-amine is CNc1nc(-c2ccccc2C)nc(C2CC2)c1Br.
What is the InChIKey of 5-bromo-6-cyclopropyl-N-methyl-2-(2-methylphenyl)pyrimidin-4-amine?
The InChIKey is JSWCMNBWJCEKIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrN3/c1-9-5-3-4-6-11(9)14-18-13(10-7-8-10)12(16)15(17-2)19-14/h3-6,10H,7-8H2,1-2H3,(H,17,18,19).
What are the key properties of 5-bromo-6-cyclopropyl-N-methyl-2-(2-methylphenyl)pyrimidin-4-amine?
5-bromo-6-cyclopropyl-N-methyl-2-(2-methylphenyl)pyrimidin-4-amine has a molecular weight of 318.22 g/mol, XLogP of 4.13, 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-N-methyl-2-(2-methylphenyl)pyrimidin-4-amine is sourced from PubChem (CID 66304583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).