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

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Related Compounds

2-[[(2R,3S)-2-(3,4-difluorophenyl)-1-methylpyrrolidin-3-yl]amino]pyridine-3-carbonitrile
CID 98874644
N-[(2R,3S)-2-(3,4-difluorophenyl)-1-methylpyrrolidin-3-yl]tetrazolo[1,5-b]pyridazin-6-amine
CID 124868498
6-[[(2R,3S)-2-(3,4-difluorophenyl)-1-methylpyrrolidin-3-yl]amino]-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one
CID 137078060
methyl 6-[[(2R,3R)-2-(3,4-difluorophenyl)-1-methylpyrrolidin-3-yl]amino]pyridazine-3-carboxylate
CID 100693245
1-[2-(3,4-difluorophenyl)-1-methylpyrrolidin-3-yl]-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea
CID 132972224
N-[2-(3,4-difluorophenyl)-1-methylpyrrolidin-3-yl]thiophene-2-carboxamide
CID 75394866
(2R)-N-[(2S,3R)-2-(3,4-difluorophenyl)-1-methylpyrrolidin-3-yl]-2-propan-2-ylsulfonylpropanamide
CID 124840939
N-[(2R,3S)-2-(3,4-difluorophenyl)-1-methylpyrrolidin-3-yl]-2-(1,2-oxazol-3-yl)acetamide
CID 129378868
N-[(2S,3R)-2-(3,4-difluorophenyl)-1-methylpyrrolidin-3-yl]-1-methyl-6-oxopyridine-3-carboxamide
CID 99850796
(3R)-N-[(2R,3S)-2-(3,4-difluorophenyl)-1-methylpyrrolidin-3-yl]oxolane-3-carboxamide
CID 129432752
N-[(2R,3S)-2-(3,4-difluorophenyl)-1-methylpyrrolidin-3-yl]-2-thiophen-2-ylacetamide
CID 129378843
N-[(2S,3R)-2-(3,4-difluorophenyl)-1-methylpyrrolidin-3-yl]-3-oxopiperazine-1-carboxamide
CID 97250474

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).