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

C15H16BrN3 — CID 66302529

IUPAC5-bromo-6-cyclopropyl-2-[(2-methylphenyl)methyl]pyrimidin-4-amine
SMILESCc1ccccc1Cc1nc(N)c(Br)c(C2CC2)n1
InChIInChI=1S/C15H16BrN3/c1-9-4-2-3-5-11(9)8-12-18-14(10-6-7-10)13(16)15(17)19-12/h2-5,10H,6-8H2,1H3,(H2,17,18,19)
InChIKeyXMSXOSBSPMHDRA-UHFFFAOYSA-N
MW318.22 g/mol
LogP3.60
Rot. Bonds3

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

5-bromo-6-cyclopropyl-2-[(2-methylphenyl)methyl]pyrimidin-4-amine (PubChem CID 66302529) has the molecular formula C15H16BrN3 and a molecular weight of 318.22 g/mol. Its IUPAC name is 5-bromo-6-cyclopropyl-2-[(2-methylphenyl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-6-cyclopropyl-2-[(2-methylphenyl)methyl]pyrimidin-4-amine
PubChem CID66302529
Molecular FormulaC15H16BrN3
Molecular Weight318.22 g/mol
Exact Mass317.05
IUPAC Name5-bromo-6-cyclopropyl-2-[(2-methylphenyl)methyl]pyrimidin-4-amine
SMILESCc1ccccc1Cc1nc(N)c(Br)c(C2CC2)n1
InChIInChI=1S/C15H16BrN3/c1-9-4-2-3-5-11(9)8-12-18-14(10-6-7-10)13(16)15(17)19-12/h2-5,10H,6-8H2,1H3,(H2,17,18,19)
InChIKeyXMSXOSBSPMHDRA-UHFFFAOYSA-N
XLogP3.60
TPSA51.80 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 ≤ 53.60
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-[(2-methylphenyl)methyl]pyrimidin-4-amine?
The IUPAC name of 5-bromo-6-cyclopropyl-2-[(2-methylphenyl)methyl]pyrimidin-4-amine (CID 66302529) is 5-bromo-6-cyclopropyl-2-[(2-methylphenyl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 5-bromo-6-cyclopropyl-2-[(2-methylphenyl)methyl]pyrimidin-4-amine?
The canonical SMILES for 5-bromo-6-cyclopropyl-2-[(2-methylphenyl)methyl]pyrimidin-4-amine is Cc1ccccc1Cc1nc(N)c(Br)c(C2CC2)n1.
What is the InChIKey of 5-bromo-6-cyclopropyl-2-[(2-methylphenyl)methyl]pyrimidin-4-amine?
The InChIKey is XMSXOSBSPMHDRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrN3/c1-9-4-2-3-5-11(9)8-12-18-14(10-6-7-10)13(16)15(17)19-12/h2-5,10H,6-8H2,1H3,(H2,17,18,19).
What are the key properties of 5-bromo-6-cyclopropyl-2-[(2-methylphenyl)methyl]pyrimidin-4-amine?
5-bromo-6-cyclopropyl-2-[(2-methylphenyl)methyl]pyrimidin-4-amine has a molecular weight of 318.22 g/mol, XLogP of 3.60, 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-2-[(2-methylphenyl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 66302529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).