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

C14H14BrN3 — CID 66303343

IUPAC5-bromo-6-cyclopropyl-2-(4-methylphenyl)pyrimidin-4-amine
SMILESCc1ccc(-c2nc(N)c(Br)c(C3CC3)n2)cc1
InChIInChI=1S/C14H14BrN3/c1-8-2-4-10(5-3-8)14-17-12(9-6-7-9)11(15)13(16)18-14/h2-5,9H,6-7H2,1H3,(H2,16,17,18)
InChIKeyBZUAXJHNLVUHRW-UHFFFAOYSA-N
MW304.19 g/mol
LogP3.67
Rot. Bonds2

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

5-bromo-6-cyclopropyl-2-(4-methylphenyl)pyrimidin-4-amine (PubChem CID 66303343) has the molecular formula C14H14BrN3 and a molecular weight of 304.19 g/mol. Its IUPAC name is 5-bromo-6-cyclopropyl-2-(4-methylphenyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-6-cyclopropyl-2-(4-methylphenyl)pyrimidin-4-amine
PubChem CID66303343
Molecular FormulaC14H14BrN3
Molecular Weight304.19 g/mol
Exact Mass303.04
IUPAC Name5-bromo-6-cyclopropyl-2-(4-methylphenyl)pyrimidin-4-amine
SMILESCc1ccc(-c2nc(N)c(Br)c(C3CC3)n2)cc1
InChIInChI=1S/C14H14BrN3/c1-8-2-4-10(5-3-8)14-17-12(9-6-7-9)11(15)13(16)18-14/h2-5,9H,6-7H2,1H3,(H2,16,17,18)
InChIKeyBZUAXJHNLVUHRW-UHFFFAOYSA-N
XLogP3.67
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.19
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-cyclopropyl-2-(4-methylphenyl)pyrimidin-4-amine?
The IUPAC name of 5-bromo-6-cyclopropyl-2-(4-methylphenyl)pyrimidin-4-amine (CID 66303343) is 5-bromo-6-cyclopropyl-2-(4-methylphenyl)pyrimidin-4-amine.
What is the SMILES notation for 5-bromo-6-cyclopropyl-2-(4-methylphenyl)pyrimidin-4-amine?
The canonical SMILES for 5-bromo-6-cyclopropyl-2-(4-methylphenyl)pyrimidin-4-amine is Cc1ccc(-c2nc(N)c(Br)c(C3CC3)n2)cc1.
What is the InChIKey of 5-bromo-6-cyclopropyl-2-(4-methylphenyl)pyrimidin-4-amine?
The InChIKey is BZUAXJHNLVUHRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN3/c1-8-2-4-10(5-3-8)14-17-12(9-6-7-9)11(15)13(16)18-14/h2-5,9H,6-7H2,1H3,(H2,16,17,18).
What are the key properties of 5-bromo-6-cyclopropyl-2-(4-methylphenyl)pyrimidin-4-amine?
5-bromo-6-cyclopropyl-2-(4-methylphenyl)pyrimidin-4-amine has a molecular weight of 304.19 g/mol, XLogP of 3.67, 2 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-(4-methylphenyl)pyrimidin-4-amine is sourced from PubChem (CID 66303343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).