5-bromo-6-cyclopropyl-2-(4-methoxy-3-methylphenyl)pyrimidin-4-amine

C15H16BrN3O — CID 66295326

IUPAC5-bromo-6-cyclopropyl-2-(4-methoxy-3-methylphenyl)pyrimidin-4-amine
SMILESCOc1ccc(-c2nc(N)c(Br)c(C3CC3)n2)cc1C
InChIInChI=1S/C15H16BrN3O/c1-8-7-10(5-6-11(8)20-2)15-18-13(9-3-4-9)12(16)14(17)19-15/h5-7,9H,3-4H2,1-2H3,(H2,17,18,19)
InChIKeyPRVVCYJKIMWUOI-UHFFFAOYSA-N
MW334.22 g/mol
LogP3.68
Rot. Bonds3

About 5-bromo-6-cyclopropyl-2-(4-methoxy-3-methylphenyl)pyrimidin-4-amine

5-bromo-6-cyclopropyl-2-(4-methoxy-3-methylphenyl)pyrimidin-4-amine (PubChem CID 66295326) has the molecular formula C15H16BrN3O and a molecular weight of 334.22 g/mol. Its IUPAC name is 5-bromo-6-cyclopropyl-2-(4-methoxy-3-methylphenyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-6-cyclopropyl-2-(4-methoxy-3-methylphenyl)pyrimidin-4-amine
PubChem CID66295326
Molecular FormulaC15H16BrN3O
Molecular Weight334.22 g/mol
Exact Mass333.05
IUPAC Name5-bromo-6-cyclopropyl-2-(4-methoxy-3-methylphenyl)pyrimidin-4-amine
SMILESCOc1ccc(-c2nc(N)c(Br)c(C3CC3)n2)cc1C
InChIInChI=1S/C15H16BrN3O/c1-8-7-10(5-6-11(8)20-2)15-18-13(9-3-4-9)12(16)14(17)19-15/h5-7,9H,3-4H2,1-2H3,(H2,17,18,19)
InChIKeyPRVVCYJKIMWUOI-UHFFFAOYSA-N
XLogP3.68
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.22
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-6-cyclopropyl-2-(4-methylphenyl)pyrimidin-4-amine
CID 66303343
5-bromo-2-(3-bromo-4-methoxyphenyl)-4-chloro-6-cyclopropylpyrimidine
CID 66313078
5-bromo-6-cyclopropyl-2-[3-(methoxymethyl)phenyl]pyrimidin-4-amine
CID 66297263
5-[5-bromo-4-cyclopropyl-6-(methylamino)pyrimidin-2-yl]-2-methoxyphenol
CID 66295717
2-cyclopropyl-5-(4-methoxy-3-methylphenyl)-3-methylimidazol-4-amine
CID 62220176
2-(4-methoxy-3-methylphenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106471995
5-iodo-2-(4-methoxy-3-methylphenyl)pyrimidin-4-amine
CID 66297619
5-bromo-2-(3-fluoro-4-methoxyphenyl)-6-methylpyrimidin-4-amine
CID 66303209
5-bromo-6-cyclopropyl-2-(furan-3-yl)pyrimidin-4-amine
CID 66304167
methyl 4-amino-2-(4-methoxy-3-methylphenyl)-6-methylpyrimidine-5-carboxylate
CID 116647675
2-(4-methoxy-3-methylphenyl)pyrimidin-5-amine
CID 62133352
5-bromo-6-cyclopropyl-2-(2-methylpyrimidin-4-yl)pyrimidin-4-amine
CID 115528547

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-cyclopropyl-2-(4-methoxy-3-methylphenyl)pyrimidin-4-amine?
The IUPAC name of 5-bromo-6-cyclopropyl-2-(4-methoxy-3-methylphenyl)pyrimidin-4-amine (CID 66295326) is 5-bromo-6-cyclopropyl-2-(4-methoxy-3-methylphenyl)pyrimidin-4-amine.
What is the SMILES notation for 5-bromo-6-cyclopropyl-2-(4-methoxy-3-methylphenyl)pyrimidin-4-amine?
The canonical SMILES for 5-bromo-6-cyclopropyl-2-(4-methoxy-3-methylphenyl)pyrimidin-4-amine is COc1ccc(-c2nc(N)c(Br)c(C3CC3)n2)cc1C.
What is the InChIKey of 5-bromo-6-cyclopropyl-2-(4-methoxy-3-methylphenyl)pyrimidin-4-amine?
The InChIKey is PRVVCYJKIMWUOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrN3O/c1-8-7-10(5-6-11(8)20-2)15-18-13(9-3-4-9)12(16)14(17)19-15/h5-7,9H,3-4H2,1-2H3,(H2,17,18,19).
What are the key properties of 5-bromo-6-cyclopropyl-2-(4-methoxy-3-methylphenyl)pyrimidin-4-amine?
5-bromo-6-cyclopropyl-2-(4-methoxy-3-methylphenyl)pyrimidin-4-amine has a molecular weight of 334.22 g/mol, XLogP of 3.68, 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-2-(4-methoxy-3-methylphenyl)pyrimidin-4-amine is sourced from PubChem (CID 66295326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).