N-[4-fluoro-3-(trifluoromethyl)phenyl]-6-pyrrolidin-1-ylpyrimidin-4-amine

C15H14F4N4 — CID 122282279

IUPACN-[4-fluoro-3-(trifluoromethyl)phenyl]-6-pyrrolidin-1-ylpyrimidin-4-amine
SMILESFc1ccc(Nc2cc(N3CCCC3)ncn2)cc1C(F)(F)F
InChIInChI=1S/C15H14F4N4/c16-12-4-3-10(7-11(12)15(17,18)19)22-13-8-14(21-9-20-13)23-5-1-2-6-23/h3-4,7-9H,1-2,5-6H2,(H,20,21,22)
InChIKeyFVJPJGQDPXDCFE-UHFFFAOYSA-N
MW326.30 g/mol
LogP3.98
Rot. Bonds3

About N-[4-fluoro-3-(trifluoromethyl)phenyl]-6-pyrrolidin-1-ylpyrimidin-4-amine

N-[4-fluoro-3-(trifluoromethyl)phenyl]-6-pyrrolidin-1-ylpyrimidin-4-amine (PubChem CID 122282279) has the molecular formula C15H14F4N4 and a molecular weight of 326.30 g/mol. Its IUPAC name is N-[4-fluoro-3-(trifluoromethyl)phenyl]-6-pyrrolidin-1-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[4-fluoro-3-(trifluoromethyl)phenyl]-6-pyrrolidin-1-ylpyrimidin-4-amine
PubChem CID122282279
Molecular FormulaC15H14F4N4
Molecular Weight326.30 g/mol
Exact Mass326.12
IUPAC NameN-[4-fluoro-3-(trifluoromethyl)phenyl]-6-pyrrolidin-1-ylpyrimidin-4-amine
SMILESFc1ccc(Nc2cc(N3CCCC3)ncn2)cc1C(F)(F)F
InChIInChI=1S/C15H14F4N4/c16-12-4-3-10(7-11(12)15(17,18)19)22-13-8-14(21-9-20-13)23-5-1-2-6-23/h3-4,7-9H,1-2,5-6H2,(H,20,21,22)
InChIKeyFVJPJGQDPXDCFE-UHFFFAOYSA-N
XLogP3.98
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.30
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-fluoro-3-(trifluoromethyl)phenyl]-6-pyrrolidin-1-ylpyrimidin-4-amine?
The IUPAC name of N-[4-fluoro-3-(trifluoromethyl)phenyl]-6-pyrrolidin-1-ylpyrimidin-4-amine (CID 122282279) is N-[4-fluoro-3-(trifluoromethyl)phenyl]-6-pyrrolidin-1-ylpyrimidin-4-amine.
What is the SMILES notation for N-[4-fluoro-3-(trifluoromethyl)phenyl]-6-pyrrolidin-1-ylpyrimidin-4-amine?
The canonical SMILES for N-[4-fluoro-3-(trifluoromethyl)phenyl]-6-pyrrolidin-1-ylpyrimidin-4-amine is Fc1ccc(Nc2cc(N3CCCC3)ncn2)cc1C(F)(F)F.
What is the InChIKey of N-[4-fluoro-3-(trifluoromethyl)phenyl]-6-pyrrolidin-1-ylpyrimidin-4-amine?
The InChIKey is FVJPJGQDPXDCFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F4N4/c16-12-4-3-10(7-11(12)15(17,18)19)22-13-8-14(21-9-20-13)23-5-1-2-6-23/h3-4,7-9H,1-2,5-6H2,(H,20,21,22).
What are the key properties of N-[4-fluoro-3-(trifluoromethyl)phenyl]-6-pyrrolidin-1-ylpyrimidin-4-amine?
N-[4-fluoro-3-(trifluoromethyl)phenyl]-6-pyrrolidin-1-ylpyrimidin-4-amine has a molecular weight of 326.30 g/mol, XLogP of 3.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-fluoro-3-(trifluoromethyl)phenyl]-6-pyrrolidin-1-ylpyrimidin-4-amine is sourced from PubChem (CID 122282279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).