N-[2-(3,4-difluorophenyl)-1-methylpyrrolidin-3-yl]-5-fluoropyrimidin-2-amine

C15H15F3N4 — CID 75496679

IUPACN-[2-(3,4-difluorophenyl)-1-methylpyrrolidin-3-yl]-5-fluoropyrimidin-2-amine
SMILESCN1CCC(Nc2ncc(F)cn2)C1c1ccc(F)c(F)c1
InChIInChI=1S/C15H15F3N4/c1-22-5-4-13(21-15-19-7-10(16)8-20-15)14(22)9-2-3-11(17)12(18)6-9/h2-3,6-8,13-14H,4-5H2,1H3,(H,19,20,21)
InChIKeyPVLSVYPXLYCBJL-UHFFFAOYSA-N
MW308.31 g/mol
LogP2.75
Rot. Bonds3

About N-[2-(3,4-difluorophenyl)-1-methylpyrrolidin-3-yl]-5-fluoropyrimidin-2-amine

N-[2-(3,4-difluorophenyl)-1-methylpyrrolidin-3-yl]-5-fluoropyrimidin-2-amine (PubChem CID 75496679) has the molecular formula C15H15F3N4 and a molecular weight of 308.31 g/mol. Its IUPAC name is N-[2-(3,4-difluorophenyl)-1-methylpyrrolidin-3-yl]-5-fluoropyrimidin-2-amine.

Molecular Properties

Compound NameN-[2-(3,4-difluorophenyl)-1-methylpyrrolidin-3-yl]-5-fluoropyrimidin-2-amine
PubChem CID75496679
Molecular FormulaC15H15F3N4
Molecular Weight308.31 g/mol
Exact Mass308.12
IUPAC NameN-[2-(3,4-difluorophenyl)-1-methylpyrrolidin-3-yl]-5-fluoropyrimidin-2-amine
SMILESCN1CCC(Nc2ncc(F)cn2)C1c1ccc(F)c(F)c1
InChIInChI=1S/C15H15F3N4/c1-22-5-4-13(21-15-19-7-10(16)8-20-15)14(22)9-2-3-11(17)12(18)6-9/h2-3,6-8,13-14H,4-5H2,1H3,(H,19,20,21)
InChIKeyPVLSVYPXLYCBJL-UHFFFAOYSA-N
XLogP2.75
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.31
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-(3,4-difluorophenyl)-1-methylpyrrolidin-3-yl]-5-fluoropyrimidin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-difluorophenyl)-1-methylpyrrolidin-3-yl]-5-fluoropyrimidin-2-amine?
The IUPAC name of N-[2-(3,4-difluorophenyl)-1-methylpyrrolidin-3-yl]-5-fluoropyrimidin-2-amine (CID 75496679) is N-[2-(3,4-difluorophenyl)-1-methylpyrrolidin-3-yl]-5-fluoropyrimidin-2-amine.
What is the SMILES notation for N-[2-(3,4-difluorophenyl)-1-methylpyrrolidin-3-yl]-5-fluoropyrimidin-2-amine?
The canonical SMILES for N-[2-(3,4-difluorophenyl)-1-methylpyrrolidin-3-yl]-5-fluoropyrimidin-2-amine is CN1CCC(Nc2ncc(F)cn2)C1c1ccc(F)c(F)c1.
What is the InChIKey of N-[2-(3,4-difluorophenyl)-1-methylpyrrolidin-3-yl]-5-fluoropyrimidin-2-amine?
The InChIKey is PVLSVYPXLYCBJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N4/c1-22-5-4-13(21-15-19-7-10(16)8-20-15)14(22)9-2-3-11(17)12(18)6-9/h2-3,6-8,13-14H,4-5H2,1H3,(H,19,20,21).
What are the key properties of N-[2-(3,4-difluorophenyl)-1-methylpyrrolidin-3-yl]-5-fluoropyrimidin-2-amine?
N-[2-(3,4-difluorophenyl)-1-methylpyrrolidin-3-yl]-5-fluoropyrimidin-2-amine has a molecular weight of 308.31 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-difluorophenyl)-1-methylpyrrolidin-3-yl]-5-fluoropyrimidin-2-amine is sourced from PubChem (CID 75496679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).