N-(3,3-difluoro-2-hydroxypropyl)-1-pyrimidin-2-ylpyrrolidine-2-carboxamide

C12H16F2N4O2 — CID 103770124

IUPACN-(3,3-difluoro-2-hydroxypropyl)-1-pyrimidin-2-ylpyrrolidine-2-carboxamide
SMILESO=C(NCC(O)C(F)F)C1CCCN1c1ncccn1
InChIInChI=1S/C12H16F2N4O2/c13-10(14)9(19)7-17-11(20)8-3-1-6-18(8)12-15-4-2-5-16-12/h2,4-5,8-10,19H,1,3,6-7H2,(H,17,20)
InChIKeyRWFDLQRRJDXODG-UHFFFAOYSA-N
MW286.28 g/mol
LogP0.19
Rot. Bonds5

About N-(3,3-difluoro-2-hydroxypropyl)-1-pyrimidin-2-ylpyrrolidine-2-carboxamide

N-(3,3-difluoro-2-hydroxypropyl)-1-pyrimidin-2-ylpyrrolidine-2-carboxamide (PubChem CID 103770124) has the molecular formula C12H16F2N4O2 and a molecular weight of 286.28 g/mol. Its IUPAC name is N-(3,3-difluoro-2-hydroxypropyl)-1-pyrimidin-2-ylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(3,3-difluoro-2-hydroxypropyl)-1-pyrimidin-2-ylpyrrolidine-2-carboxamide
PubChem CID103770124
Molecular FormulaC12H16F2N4O2
Molecular Weight286.28 g/mol
Exact Mass286.12
IUPAC NameN-(3,3-difluoro-2-hydroxypropyl)-1-pyrimidin-2-ylpyrrolidine-2-carboxamide
SMILESO=C(NCC(O)C(F)F)C1CCCN1c1ncccn1
InChIInChI=1S/C12H16F2N4O2/c13-10(14)9(19)7-17-11(20)8-3-1-6-18(8)12-15-4-2-5-16-12/h2,4-5,8-10,19H,1,3,6-7H2,(H,17,20)
InChIKeyRWFDLQRRJDXODG-UHFFFAOYSA-N
XLogP0.19
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.28
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Gosogliptin
CID 11516136
cis-((3R,4R)-3,4-difluoropyrrolidin-1-yl)((2S,4S)-4-(4-(pyrimidin-2-yl)piperazin-1-yl)pyrrolidin-2-yl)methanone
CID 44565582
cis-((2S,4S)-4-(4-(pyrimidin-2-yl)piperazin-1-yl)pyrrolidin-2-yl)(3,3,4,4-tetrafluoropyrrolidin-1-yl)methanone
CID 44565583
cis-(3-fluoroazetidin-1-yl)((2S,4S)-4-(4-(pyrimidin-2-yl)piperazin-1-yl)pyrrolidin-2-yl)methanone
CID 44565585
cis-((R)-3-fluoropyrrolidin-1-yl)((2S,4S)-4-(4-(pyrimidin-2-yl)piperazin-1-yl)pyrrolidin-2-yl)methanone
CID 44565890
cis-((S)-3-fluoropyrrolidin-1-yl)((2S,4S)-4-(4-(pyrimidin-2-yl)piperazin-1-yl)pyrrolidin-2-yl)methanone
CID 44565891
cis-((3S,4R)-3,4-difluoropyrrolidin-1-yl)((2S,4S)-4-(4-(pyrimidin-2-yl)piperazin-1-yl)pyrrolidin-2-yl)methanone
CID 44565892
cis-(3,3-difluoroazetidin-1-yl)((2S,4S)-4-(4-(pyrimidin-2-yl)piperazin-1-yl)pyrrolidin-2-yl)methanone
CID 44565586
trans-(3,3-difluoropyrrolidin-1-yl)((2S,4R)-4-(4-(pyrimidin-2-yl)piperazin-1-yl)pyrrolidin-2-yl)methanone
CID 44565611
(3,3-difluoropyrrolidin-1-yl)-[(2S,4S)-4-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)pyrrolidin-1-ium-2-yl]methanone
CID 72199837
(2S,4S)-2-(3,3-difluoropyrrolidine-1-carbonyl)-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrrolidine-1-carboxamide
CID 118753278
(2S)-2-amino-5-(diaminomethylideneamino)-N-[3-[methyl(pyrimidin-2-yl)amino]propyl]pentanamide
CID 46879796

Frequently Asked Questions

What is the IUPAC name of N-(3,3-difluoro-2-hydroxypropyl)-1-pyrimidin-2-ylpyrrolidine-2-carboxamide?
The IUPAC name of N-(3,3-difluoro-2-hydroxypropyl)-1-pyrimidin-2-ylpyrrolidine-2-carboxamide (CID 103770124) is N-(3,3-difluoro-2-hydroxypropyl)-1-pyrimidin-2-ylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-(3,3-difluoro-2-hydroxypropyl)-1-pyrimidin-2-ylpyrrolidine-2-carboxamide?
The canonical SMILES for N-(3,3-difluoro-2-hydroxypropyl)-1-pyrimidin-2-ylpyrrolidine-2-carboxamide is O=C(NCC(O)C(F)F)C1CCCN1c1ncccn1.
What is the InChIKey of N-(3,3-difluoro-2-hydroxypropyl)-1-pyrimidin-2-ylpyrrolidine-2-carboxamide?
The InChIKey is RWFDLQRRJDXODG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N4O2/c13-10(14)9(19)7-17-11(20)8-3-1-6-18(8)12-15-4-2-5-16-12/h2,4-5,8-10,19H,1,3,6-7H2,(H,17,20).
What are the key properties of N-(3,3-difluoro-2-hydroxypropyl)-1-pyrimidin-2-ylpyrrolidine-2-carboxamide?
N-(3,3-difluoro-2-hydroxypropyl)-1-pyrimidin-2-ylpyrrolidine-2-carboxamide has a molecular weight of 286.28 g/mol, XLogP of 0.19, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-difluoro-2-hydroxypropyl)-1-pyrimidin-2-ylpyrrolidine-2-carboxamide is sourced from PubChem (CID 103770124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).