2-cyclopropyl-6-(3-fluoro-4-methylphenyl)-N-methylpyrimidin-4-amine

C15H16FN3 — CID 115502731

IUPAC2-cyclopropyl-6-(3-fluoro-4-methylphenyl)-N-methylpyrimidin-4-amine
SMILESCNc1cc(-c2ccc(C)c(F)c2)nc(C2CC2)n1
InChIInChI=1S/C15H16FN3/c1-9-3-4-11(7-12(9)16)13-8-14(17-2)19-15(18-13)10-5-6-10/h3-4,7-8,10H,5-6H2,1-2H3,(H,17,18,19)
InChIKeyIULKXCIOYBWONT-UHFFFAOYSA-N
MW257.31 g/mol
LogP3.51
Rot. Bonds3

About 2-cyclopropyl-6-(3-fluoro-4-methylphenyl)-N-methylpyrimidin-4-amine

2-cyclopropyl-6-(3-fluoro-4-methylphenyl)-N-methylpyrimidin-4-amine (PubChem CID 115502731) has the molecular formula C15H16FN3 and a molecular weight of 257.31 g/mol. Its IUPAC name is 2-cyclopropyl-6-(3-fluoro-4-methylphenyl)-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-cyclopropyl-6-(3-fluoro-4-methylphenyl)-N-methylpyrimidin-4-amine
PubChem CID115502731
Molecular FormulaC15H16FN3
Molecular Weight257.31 g/mol
Exact Mass257.13
IUPAC Name2-cyclopropyl-6-(3-fluoro-4-methylphenyl)-N-methylpyrimidin-4-amine
SMILESCNc1cc(-c2ccc(C)c(F)c2)nc(C2CC2)n1
InChIInChI=1S/C15H16FN3/c1-9-3-4-11(7-12(9)16)13-8-14(17-2)19-15(18-13)10-5-6-10/h3-4,7-8,10H,5-6H2,1-2H3,(H,17,18,19)
InChIKeyIULKXCIOYBWONT-UHFFFAOYSA-N
XLogP3.51
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-6-(3-fluoro-4-methylphenyl)-N-methylpyrimidin-4-amine?
The IUPAC name of 2-cyclopropyl-6-(3-fluoro-4-methylphenyl)-N-methylpyrimidin-4-amine (CID 115502731) is 2-cyclopropyl-6-(3-fluoro-4-methylphenyl)-N-methylpyrimidin-4-amine.
What is the SMILES notation for 2-cyclopropyl-6-(3-fluoro-4-methylphenyl)-N-methylpyrimidin-4-amine?
The canonical SMILES for 2-cyclopropyl-6-(3-fluoro-4-methylphenyl)-N-methylpyrimidin-4-amine is CNc1cc(-c2ccc(C)c(F)c2)nc(C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-6-(3-fluoro-4-methylphenyl)-N-methylpyrimidin-4-amine?
The InChIKey is IULKXCIOYBWONT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3/c1-9-3-4-11(7-12(9)16)13-8-14(17-2)19-15(18-13)10-5-6-10/h3-4,7-8,10H,5-6H2,1-2H3,(H,17,18,19).
What are the key properties of 2-cyclopropyl-6-(3-fluoro-4-methylphenyl)-N-methylpyrimidin-4-amine?
2-cyclopropyl-6-(3-fluoro-4-methylphenyl)-N-methylpyrimidin-4-amine has a molecular weight of 257.31 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-6-(3-fluoro-4-methylphenyl)-N-methylpyrimidin-4-amine is sourced from PubChem (CID 115502731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).