5-bromo-6-cyclopropyl-N-methyl-2-pyridin-3-ylpyrimidin-4-amine

C13H13BrN4 — CID 66302950

IUPAC5-bromo-6-cyclopropyl-N-methyl-2-pyridin-3-ylpyrimidin-4-amine
SMILESCNc1nc(-c2cccnc2)nc(C2CC2)c1Br
InChIInChI=1S/C13H13BrN4/c1-15-13-10(14)11(8-4-5-8)17-12(18-13)9-3-2-6-16-7-9/h2-3,6-8H,4-5H2,1H3,(H,15,17,18)
InChIKeyJSMKSPMQMZAOKT-UHFFFAOYSA-N
MW305.18 g/mol
LogP3.22
Rot. Bonds3

About 5-bromo-6-cyclopropyl-N-methyl-2-pyridin-3-ylpyrimidin-4-amine

5-bromo-6-cyclopropyl-N-methyl-2-pyridin-3-ylpyrimidin-4-amine (PubChem CID 66302950) has the molecular formula C13H13BrN4 and a molecular weight of 305.18 g/mol. Its IUPAC name is 5-bromo-6-cyclopropyl-N-methyl-2-pyridin-3-ylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-6-cyclopropyl-N-methyl-2-pyridin-3-ylpyrimidin-4-amine
PubChem CID66302950
Molecular FormulaC13H13BrN4
Molecular Weight305.18 g/mol
Exact Mass304.03
IUPAC Name5-bromo-6-cyclopropyl-N-methyl-2-pyridin-3-ylpyrimidin-4-amine
SMILESCNc1nc(-c2cccnc2)nc(C2CC2)c1Br
InChIInChI=1S/C13H13BrN4/c1-15-13-10(14)11(8-4-5-8)17-12(18-13)9-3-2-6-16-7-9/h2-3,6-8H,4-5H2,1H3,(H,15,17,18)
InChIKeyJSMKSPMQMZAOKT-UHFFFAOYSA-N
XLogP3.22
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.18
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-6-cyclopropyl-N-propyl-2-pyridin-3-ylpyrimidin-4-amine
CID 66303575
5-bromo-6-cyclopropyl-2-(3-methoxyphenyl)-N-methylpyrimidin-4-amine
CID 66301926
5-bromo-6-cyclopropyl-2-(4-fluorophenyl)-N-methylpyrimidin-4-amine
CID 66304168
5-bromo-2-(4-bromo-3,5-dimethylphenyl)-6-cyclopropyl-N-methylpyrimidin-4-amine
CID 114331016
6-cyclopropyl-5-iodo-N-propyl-2-pyridin-3-ylpyrimidin-4-amine
CID 66304220
5-bromo-2-(3-bromothiophen-2-yl)-6-cyclopropyl-N-methylpyrimidin-4-amine
CID 115381230
2-(1,3-benzodioxol-5-yl)-5-bromo-6-cyclopropyl-N-methylpyrimidin-4-amine
CID 66297835
2-(3-bromophenyl)-6-cyclopropyl-5-iodo-N-methylpyrimidin-4-amine
CID 66302370
5-[5-bromo-4-cyclopropyl-6-(methylamino)pyrimidin-2-yl]-2-methoxyphenol
CID 66295717
5-bromo-6-cyclopropyl-N-methyl-2-(2,4,6-trimethylphenyl)pyrimidin-4-amine
CID 66296102
5-bromo-2-(5-chloro-1,3-thiazol-2-yl)-6-cyclopropyl-N-methylpyrimidin-4-amine
CID 107125379
6-bromo-4-(methylamino)-2-pyridin-3-ylquinazolin-8-ol
CID 71151557

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-cyclopropyl-N-methyl-2-pyridin-3-ylpyrimidin-4-amine?
The IUPAC name of 5-bromo-6-cyclopropyl-N-methyl-2-pyridin-3-ylpyrimidin-4-amine (CID 66302950) is 5-bromo-6-cyclopropyl-N-methyl-2-pyridin-3-ylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-6-cyclopropyl-N-methyl-2-pyridin-3-ylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-6-cyclopropyl-N-methyl-2-pyridin-3-ylpyrimidin-4-amine is CNc1nc(-c2cccnc2)nc(C2CC2)c1Br.
What is the InChIKey of 5-bromo-6-cyclopropyl-N-methyl-2-pyridin-3-ylpyrimidin-4-amine?
The InChIKey is JSMKSPMQMZAOKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN4/c1-15-13-10(14)11(8-4-5-8)17-12(18-13)9-3-2-6-16-7-9/h2-3,6-8H,4-5H2,1H3,(H,15,17,18).
What are the key properties of 5-bromo-6-cyclopropyl-N-methyl-2-pyridin-3-ylpyrimidin-4-amine?
5-bromo-6-cyclopropyl-N-methyl-2-pyridin-3-ylpyrimidin-4-amine has a molecular weight of 305.18 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-cyclopropyl-N-methyl-2-pyridin-3-ylpyrimidin-4-amine is sourced from PubChem (CID 66302950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).