1-[2-(4-fluoro-3-methylphenyl)pyrimidin-5-yl]propan-2-amine

C14H16FN3 — CID 62757182

IUPAC1-[2-(4-fluoro-3-methylphenyl)pyrimidin-5-yl]propan-2-amine
SMILESCc1cc(-c2ncc(CC(C)N)cn2)ccc1F
InChIInChI=1S/C14H16FN3/c1-9-5-12(3-4-13(9)15)14-17-7-11(8-18-14)6-10(2)16/h3-5,7-8,10H,6,16H2,1-2H3
InChIKeyPPLPSQREHBAUAE-UHFFFAOYSA-N
MW245.30 g/mol
LogP2.48
Rot. Bonds3

About 1-[2-(4-fluoro-3-methylphenyl)pyrimidin-5-yl]propan-2-amine

1-[2-(4-fluoro-3-methylphenyl)pyrimidin-5-yl]propan-2-amine (PubChem CID 62757182) has the molecular formula C14H16FN3 and a molecular weight of 245.30 g/mol. Its IUPAC name is 1-[2-(4-fluoro-3-methylphenyl)pyrimidin-5-yl]propan-2-amine.

Molecular Properties

Compound Name1-[2-(4-fluoro-3-methylphenyl)pyrimidin-5-yl]propan-2-amine
PubChem CID62757182
Molecular FormulaC14H16FN3
Molecular Weight245.30 g/mol
Exact Mass245.13
IUPAC Name1-[2-(4-fluoro-3-methylphenyl)pyrimidin-5-yl]propan-2-amine
SMILESCc1cc(-c2ncc(CC(C)N)cn2)ccc1F
InChIInChI=1S/C14H16FN3/c1-9-5-12(3-4-13(9)15)14-17-7-11(8-18-14)6-10(2)16/h3-5,7-8,10H,6,16H2,1-2H3
InChIKeyPPLPSQREHBAUAE-UHFFFAOYSA-N
XLogP2.48
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(3-bromo-4-fluorophenyl)pyrimidin-5-yl]propan-2-amine
CID 82803660
1-[2-(3-fluoro-4-methylphenyl)pyrimidin-5-yl]propan-2-ol
CID 20663049
4-[5-(2-aminopropyl)pyrimidin-2-yl]phenol
CID 136889444
(1R)-1-[2-(4-fluoro-3-methylphenyl)-4-methylpyrimidin-5-yl]ethanol
CID 94587725
1-[2-(3-nitrophenyl)pyrimidin-5-yl]propan-2-amine
CID 62757546
4-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 63348448
1-[2-(1-methylpyrazol-3-yl)pyrimidin-5-yl]propan-2-amine
CID 65197639
(1S)-1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 82616661
1-[2-(3-methylphenyl)pyrimidin-5-yl]butan-2-amine
CID 62757551
2-(3,4-difluorophenyl)-5-methylpyrimidine
CID 14365247
1-[6-(3-fluoro-4-methylphenoxy)-5-methyl-3-pyridinyl]propan-2-amine
CID 107171083
2-(4-fluoro-3-methylphenyl)-4-phenyl-1,3,5-triazine
CID 174842436

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluoro-3-methylphenyl)pyrimidin-5-yl]propan-2-amine?
The IUPAC name of 1-[2-(4-fluoro-3-methylphenyl)pyrimidin-5-yl]propan-2-amine (CID 62757182) is 1-[2-(4-fluoro-3-methylphenyl)pyrimidin-5-yl]propan-2-amine.
What is the SMILES notation for 1-[2-(4-fluoro-3-methylphenyl)pyrimidin-5-yl]propan-2-amine?
The canonical SMILES for 1-[2-(4-fluoro-3-methylphenyl)pyrimidin-5-yl]propan-2-amine is Cc1cc(-c2ncc(CC(C)N)cn2)ccc1F.
What is the InChIKey of 1-[2-(4-fluoro-3-methylphenyl)pyrimidin-5-yl]propan-2-amine?
The InChIKey is PPLPSQREHBAUAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3/c1-9-5-12(3-4-13(9)15)14-17-7-11(8-18-14)6-10(2)16/h3-5,7-8,10H,6,16H2,1-2H3.
What are the key properties of 1-[2-(4-fluoro-3-methylphenyl)pyrimidin-5-yl]propan-2-amine?
1-[2-(4-fluoro-3-methylphenyl)pyrimidin-5-yl]propan-2-amine has a molecular weight of 245.30 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-fluoro-3-methylphenyl)pyrimidin-5-yl]propan-2-amine is sourced from PubChem (CID 62757182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).