6-cyclopropyl-2-(4-fluoro-2-methylphenyl)-N-propylpyrimidin-4-amine

C17H20FN3 — CID 81273052

IUPAC6-cyclopropyl-2-(4-fluoro-2-methylphenyl)-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(C2CC2)nc(-c2ccc(F)cc2C)n1
InChIInChI=1S/C17H20FN3/c1-3-8-19-16-10-15(12-4-5-12)20-17(21-16)14-7-6-13(18)9-11(14)2/h6-7,9-10,12H,3-5,8H2,1-2H3,(H,19,20,21)
InChIKeyYJOZELLQKGMICP-UHFFFAOYSA-N
MW285.37 g/mol
LogP4.29
Rot. Bonds5

About 6-cyclopropyl-2-(4-fluoro-2-methylphenyl)-N-propylpyrimidin-4-amine

6-cyclopropyl-2-(4-fluoro-2-methylphenyl)-N-propylpyrimidin-4-amine (PubChem CID 81273052) has the molecular formula C17H20FN3 and a molecular weight of 285.37 g/mol. Its IUPAC name is 6-cyclopropyl-2-(4-fluoro-2-methylphenyl)-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-cyclopropyl-2-(4-fluoro-2-methylphenyl)-N-propylpyrimidin-4-amine
PubChem CID81273052
Molecular FormulaC17H20FN3
Molecular Weight285.37 g/mol
Exact Mass285.16
IUPAC Name6-cyclopropyl-2-(4-fluoro-2-methylphenyl)-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(C2CC2)nc(-c2ccc(F)cc2C)n1
InChIInChI=1S/C17H20FN3/c1-3-8-19-16-10-15(12-4-5-12)20-17(21-16)14-7-6-13(18)9-11(14)2/h6-7,9-10,12H,3-5,8H2,1-2H3,(H,19,20,21)
InChIKeyYJOZELLQKGMICP-UHFFFAOYSA-N
XLogP4.29
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-2-(4-fluoro-2-methylphenyl)-N-propylpyrimidin-4-amine?
The IUPAC name of 6-cyclopropyl-2-(4-fluoro-2-methylphenyl)-N-propylpyrimidin-4-amine (CID 81273052) is 6-cyclopropyl-2-(4-fluoro-2-methylphenyl)-N-propylpyrimidin-4-amine.
What is the SMILES notation for 6-cyclopropyl-2-(4-fluoro-2-methylphenyl)-N-propylpyrimidin-4-amine?
The canonical SMILES for 6-cyclopropyl-2-(4-fluoro-2-methylphenyl)-N-propylpyrimidin-4-amine is CCCNc1cc(C2CC2)nc(-c2ccc(F)cc2C)n1.
What is the InChIKey of 6-cyclopropyl-2-(4-fluoro-2-methylphenyl)-N-propylpyrimidin-4-amine?
The InChIKey is YJOZELLQKGMICP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3/c1-3-8-19-16-10-15(12-4-5-12)20-17(21-16)14-7-6-13(18)9-11(14)2/h6-7,9-10,12H,3-5,8H2,1-2H3,(H,19,20,21).
What are the key properties of 6-cyclopropyl-2-(4-fluoro-2-methylphenyl)-N-propylpyrimidin-4-amine?
6-cyclopropyl-2-(4-fluoro-2-methylphenyl)-N-propylpyrimidin-4-amine has a molecular weight of 285.37 g/mol, XLogP of 4.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-2-(4-fluoro-2-methylphenyl)-N-propylpyrimidin-4-amine is sourced from PubChem (CID 81273052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).