5-bromo-6-cyclopropyl-2-(2-methylpyrimidin-4-yl)pyrimidin-4-amine

C12H12BrN5 — CID 115528547

IUPAC5-bromo-6-cyclopropyl-2-(2-methylpyrimidin-4-yl)pyrimidin-4-amine
SMILESCc1nccc(-c2nc(N)c(Br)c(C3CC3)n2)n1
InChIInChI=1S/C12H12BrN5/c1-6-15-5-4-8(16-6)12-17-10(7-2-3-7)9(13)11(14)18-12/h4-5,7H,2-3H2,1H3,(H2,14,17,18)
InChIKeyRGWDUPACJMXBSH-UHFFFAOYSA-N
MW306.17 g/mol
LogP2.46
Rot. Bonds2

About 5-bromo-6-cyclopropyl-2-(2-methylpyrimidin-4-yl)pyrimidin-4-amine

5-bromo-6-cyclopropyl-2-(2-methylpyrimidin-4-yl)pyrimidin-4-amine (PubChem CID 115528547) has the molecular formula C12H12BrN5 and a molecular weight of 306.17 g/mol. Its IUPAC name is 5-bromo-6-cyclopropyl-2-(2-methylpyrimidin-4-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-6-cyclopropyl-2-(2-methylpyrimidin-4-yl)pyrimidin-4-amine
PubChem CID115528547
Molecular FormulaC12H12BrN5
Molecular Weight306.17 g/mol
Exact Mass305.03
IUPAC Name5-bromo-6-cyclopropyl-2-(2-methylpyrimidin-4-yl)pyrimidin-4-amine
SMILESCc1nccc(-c2nc(N)c(Br)c(C3CC3)n2)n1
InChIInChI=1S/C12H12BrN5/c1-6-15-5-4-8(16-6)12-17-10(7-2-3-7)9(13)11(14)18-12/h4-5,7H,2-3H2,1H3,(H2,14,17,18)
InChIKeyRGWDUPACJMXBSH-UHFFFAOYSA-N
XLogP2.46
TPSA77.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.17
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-cyclopropyl-2-(2-methylpyrimidin-4-yl)pyrimidin-4-amine?
The IUPAC name of 5-bromo-6-cyclopropyl-2-(2-methylpyrimidin-4-yl)pyrimidin-4-amine (CID 115528547) is 5-bromo-6-cyclopropyl-2-(2-methylpyrimidin-4-yl)pyrimidin-4-amine.
What is the SMILES notation for 5-bromo-6-cyclopropyl-2-(2-methylpyrimidin-4-yl)pyrimidin-4-amine?
The canonical SMILES for 5-bromo-6-cyclopropyl-2-(2-methylpyrimidin-4-yl)pyrimidin-4-amine is Cc1nccc(-c2nc(N)c(Br)c(C3CC3)n2)n1.
What is the InChIKey of 5-bromo-6-cyclopropyl-2-(2-methylpyrimidin-4-yl)pyrimidin-4-amine?
The InChIKey is RGWDUPACJMXBSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN5/c1-6-15-5-4-8(16-6)12-17-10(7-2-3-7)9(13)11(14)18-12/h4-5,7H,2-3H2,1H3,(H2,14,17,18).
What are the key properties of 5-bromo-6-cyclopropyl-2-(2-methylpyrimidin-4-yl)pyrimidin-4-amine?
5-bromo-6-cyclopropyl-2-(2-methylpyrimidin-4-yl)pyrimidin-4-amine has a molecular weight of 306.17 g/mol, XLogP of 2.46, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-cyclopropyl-2-(2-methylpyrimidin-4-yl)pyrimidin-4-amine is sourced from PubChem (CID 115528547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).