5-bromo-2-(4-cyclopropylphenyl)-N-methyl-6-propan-2-ylpyrimidin-4-amine

C17H20BrN3 — CID 79972059

IUPAC5-bromo-2-(4-cyclopropylphenyl)-N-methyl-6-propan-2-ylpyrimidin-4-amine
SMILESCNc1nc(-c2ccc(C3CC3)cc2)nc(C(C)C)c1Br
InChIInChI=1S/C17H20BrN3/c1-10(2)15-14(18)17(19-3)21-16(20-15)13-8-6-12(7-9-13)11-4-5-11/h6-11H,4-5H2,1-3H3,(H,19,20,21)
InChIKeyJJICMZODLZFRCL-UHFFFAOYSA-N
MW346.27 g/mol
LogP4.95
Rot. Bonds4

About 5-bromo-2-(4-cyclopropylphenyl)-N-methyl-6-propan-2-ylpyrimidin-4-amine

5-bromo-2-(4-cyclopropylphenyl)-N-methyl-6-propan-2-ylpyrimidin-4-amine (PubChem CID 79972059) has the molecular formula C17H20BrN3 and a molecular weight of 346.27 g/mol. Its IUPAC name is 5-bromo-2-(4-cyclopropylphenyl)-N-methyl-6-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-2-(4-cyclopropylphenyl)-N-methyl-6-propan-2-ylpyrimidin-4-amine
PubChem CID79972059
Molecular FormulaC17H20BrN3
Molecular Weight346.27 g/mol
Exact Mass345.08
IUPAC Name5-bromo-2-(4-cyclopropylphenyl)-N-methyl-6-propan-2-ylpyrimidin-4-amine
SMILESCNc1nc(-c2ccc(C3CC3)cc2)nc(C(C)C)c1Br
InChIInChI=1S/C17H20BrN3/c1-10(2)15-14(18)17(19-3)21-16(20-15)13-8-6-12(7-9-13)11-4-5-11/h6-11H,4-5H2,1-3H3,(H,19,20,21)
InChIKeyJJICMZODLZFRCL-UHFFFAOYSA-N
XLogP4.95
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.27
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(4-cyclopropylphenyl)-N-methyl-6-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 5-bromo-2-(4-cyclopropylphenyl)-N-methyl-6-propan-2-ylpyrimidin-4-amine (CID 79972059) is 5-bromo-2-(4-cyclopropylphenyl)-N-methyl-6-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-2-(4-cyclopropylphenyl)-N-methyl-6-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-2-(4-cyclopropylphenyl)-N-methyl-6-propan-2-ylpyrimidin-4-amine is CNc1nc(-c2ccc(C3CC3)cc2)nc(C(C)C)c1Br.
What is the InChIKey of 5-bromo-2-(4-cyclopropylphenyl)-N-methyl-6-propan-2-ylpyrimidin-4-amine?
The InChIKey is JJICMZODLZFRCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrN3/c1-10(2)15-14(18)17(19-3)21-16(20-15)13-8-6-12(7-9-13)11-4-5-11/h6-11H,4-5H2,1-3H3,(H,19,20,21).
What are the key properties of 5-bromo-2-(4-cyclopropylphenyl)-N-methyl-6-propan-2-ylpyrimidin-4-amine?
5-bromo-2-(4-cyclopropylphenyl)-N-methyl-6-propan-2-ylpyrimidin-4-amine has a molecular weight of 346.27 g/mol, XLogP of 4.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(4-cyclopropylphenyl)-N-methyl-6-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 79972059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).