2-(3,3-difluoropyrrolidin-1-yl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine

C14H12F5N5 — CID 141417445

IUPAC2-(3,3-difluoropyrrolidin-1-yl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine
SMILESFC1(F)CCN(c2nccc(Nc3cc(C(F)(F)F)ccn3)n2)C1
InChIInChI=1S/C14H12F5N5/c15-13(16)3-6-24(8-13)12-21-5-2-10(23-12)22-11-7-9(1-4-20-11)14(17,18)19/h1-2,4-5,7H,3,6,8H2,(H,20,21,22,23)
InChIKeyKGAYEZNABONDFU-UHFFFAOYSA-N
MW345.28 g/mol
LogP3.48
Rot. Bonds3

About 2-(3,3-difluoropyrrolidin-1-yl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine

2-(3,3-difluoropyrrolidin-1-yl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine (PubChem CID 141417445) has the molecular formula C14H12F5N5 and a molecular weight of 345.28 g/mol. Its IUPAC name is 2-(3,3-difluoropyrrolidin-1-yl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(3,3-difluoropyrrolidin-1-yl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine
PubChem CID141417445
Molecular FormulaC14H12F5N5
Molecular Weight345.28 g/mol
Exact Mass345.10
IUPAC Name2-(3,3-difluoropyrrolidin-1-yl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine
SMILESFC1(F)CCN(c2nccc(Nc3cc(C(F)(F)F)ccn3)n2)C1
InChIInChI=1S/C14H12F5N5/c15-13(16)3-6-24(8-13)12-21-5-2-10(23-12)22-11-7-9(1-4-20-11)14(17,18)19/h1-2,4-5,7H,3,6,8H2,(H,20,21,22,23)
InChIKeyKGAYEZNABONDFU-UHFFFAOYSA-N
XLogP3.48
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.28
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,3-difluoropyrrolidin-1-yl)-6-piperidin-4-yl-N-(4-propan-2-yl-2-pyridinyl)pyrimidin-4-amine;ethane;2-[(2R)-2-methylpyrrolidin-1-yl]-6-piperidin-4-yl-N-[4-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine
CID 144740207
2-(3,3-difluoroazetidin-1-yl)-6-[1-(3H-pyrrol-5-ylmethyl)pyrrolidin-3-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine
CID 148939649
2-(4,4-difluoropiperidin-1-yl)-N-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine
CID 141398251
N-[4-(1,1-difluoroethyl)-2-pyridinyl]-6-(3,3-difluoropyrrolidin-1-yl)-4-[1-(oxetan-3-yl)azetidin-3-yl]pyridin-2-amine
CID 163555024
6-chloro-N-[4-(trifluoromethyl)-2-pyridinyl]quinolin-2-amine
CID 137378416
2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[5-[4-(trifluoromethyl)phenyl]pyridazin-3-yl]pyrimidin-4-amine
CID 169200837
CID 166549936
CID 166549936
5-chloro-N-[4-(trifluoromethyl)-2-pyridinyl]isoquinolin-3-amine
CID 177312580
6-bromo-4-(bromomethyl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine
CID 90237738
2-(3,4-dihydro-2H-quinolin-1-yl)-N-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 112902414
1-[4,6-bis[3-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]-3-methylpyrrolidin-3-ol
CID 160975266
N-[2-(3,3-difluoropiperidin-1-yl)pyrimidin-4-yl]-8-[3-(ethylsulfanylmethyl)azetidin-1-yl]-5-propan-2-ylisoquinolin-3-amine
CID 156802306

Frequently Asked Questions

What is the IUPAC name of 2-(3,3-difluoropyrrolidin-1-yl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine?
The IUPAC name of 2-(3,3-difluoropyrrolidin-1-yl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine (CID 141417445) is 2-(3,3-difluoropyrrolidin-1-yl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine.
What is the SMILES notation for 2-(3,3-difluoropyrrolidin-1-yl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine?
The canonical SMILES for 2-(3,3-difluoropyrrolidin-1-yl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine is FC1(F)CCN(c2nccc(Nc3cc(C(F)(F)F)ccn3)n2)C1.
What is the InChIKey of 2-(3,3-difluoropyrrolidin-1-yl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine?
The InChIKey is KGAYEZNABONDFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F5N5/c15-13(16)3-6-24(8-13)12-21-5-2-10(23-12)22-11-7-9(1-4-20-11)14(17,18)19/h1-2,4-5,7H,3,6,8H2,(H,20,21,22,23).
What are the key properties of 2-(3,3-difluoropyrrolidin-1-yl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine?
2-(3,3-difluoropyrrolidin-1-yl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine has a molecular weight of 345.28 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-difluoropyrrolidin-1-yl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine is sourced from PubChem (CID 141417445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).