(2S,4R)-1-[(4-ethyl-6-oxo-1H-pyrimidin-2-yl)methyl]-4-fluoropyrrolidine-2-carboxamide

C12H17FN4O2 — CID 137154589

IUPAC(2S,4R)-1-[(4-ethyl-6-oxo-1H-pyrimidin-2-yl)methyl]-4-fluoropyrrolidine-2-carboxamide
SMILESCCc1cc(=O)[nH]c(CN2C[C@H](F)C[C@H]2C(N)=O)n1
InChIInChI=1S/C12H17FN4O2/c1-2-8-4-11(18)16-10(15-8)6-17-5-7(13)3-9(17)12(14)19/h4,7,9H,2-3,5-6H2,1H3,(H2,14,19)(H,15,16,18)/t7-,9+/m1/s1
InChIKeyXBTSDSIBTMNHGJ-APPZFPTMSA-N
MW268.29 g/mol
LogP-0.27
Rot. Bonds4

About (2S,4R)-1-[(4-ethyl-6-oxo-1H-pyrimidin-2-yl)methyl]-4-fluoropyrrolidine-2-carboxamide

(2S,4R)-1-[(4-ethyl-6-oxo-1H-pyrimidin-2-yl)methyl]-4-fluoropyrrolidine-2-carboxamide (PubChem CID 137154589) has the molecular formula C12H17FN4O2 and a molecular weight of 268.29 g/mol. Its IUPAC name is (2S,4R)-1-[(4-ethyl-6-oxo-1H-pyrimidin-2-yl)methyl]-4-fluoropyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4R)-1-[(4-ethyl-6-oxo-1H-pyrimidin-2-yl)methyl]-4-fluoropyrrolidine-2-carboxamide
PubChem CID137154589
Molecular FormulaC12H17FN4O2
Molecular Weight268.29 g/mol
Exact Mass268.13
IUPAC Name(2S,4R)-1-[(4-ethyl-6-oxo-1H-pyrimidin-2-yl)methyl]-4-fluoropyrrolidine-2-carboxamide
SMILESCCc1cc(=O)[nH]c(CN2C[C@H](F)C[C@H]2C(N)=O)n1
InChIInChI=1S/C12H17FN4O2/c1-2-8-4-11(18)16-10(15-8)6-17-5-7(13)3-9(17)12(14)19/h4,7,9H,2-3,5-6H2,1H3,(H2,14,19)(H,15,16,18)/t7-,9+/m1/s1
InChIKeyXBTSDSIBTMNHGJ-APPZFPTMSA-N
XLogP-0.27
TPSA92.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.29
LogP ≤ 5-0.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S,4R)-1-[(4-ethyl-6-oxo-1H-pyrimidin-2-yl)methyl]-4-fluoropyrrolidine-2-carboxamide with MolForge

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Related Compounds

2-[1-(cyclopropanecarbonyl)pyrrolidin-2-yl]-4-propan-2-yl-1H-pyrimidin-6-one
CID 136816576
4-ethyl-2-[[(2S,4R)-4-fluoro-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]methyl]-1H-pyrimidin-6-one
CID 137154591
2-methyl-4-(1-methylpyrrolidin-2-yl)-1H-pyrimidin-6-one
CID 136483012
1-[(6-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]-D-prolinamide
CID 91829297
N-(2-(4-ethyl-6-oxopyrimidin-1(6H)-yl)ethyl)-5-oxopyrrolidine-2-carboxamide
CID 121119666
2-[2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)pyrrolidin-1-yl]acetamide
CID 136232173
1-acetyl-N-[2-(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)ethyl]-L-prolinamide
CID 136662249
2-[(2S)-2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)pyrrolidin-1-yl]acetamide
CID 136697580
2-[(2R)-2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)pyrrolidin-1-yl]acetamide
CID 136697581
4-[1-(cyclobutanecarbonyl)pyrrolidin-2-yl]-2-methyl-1H-pyrimidin-6-one
CID 136804059
2-methyl-4-(1-propan-2-ylpyrrolidin-2-yl)-1H-pyrimidin-6-one
CID 136804068
4-(1-acetylpyrrolidin-2-yl)-2-methyl-1H-pyrimidin-6-one
CID 136804070

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-1-[(4-ethyl-6-oxo-1H-pyrimidin-2-yl)methyl]-4-fluoropyrrolidine-2-carboxamide?
The IUPAC name of (2S,4R)-1-[(4-ethyl-6-oxo-1H-pyrimidin-2-yl)methyl]-4-fluoropyrrolidine-2-carboxamide (CID 137154589) is (2S,4R)-1-[(4-ethyl-6-oxo-1H-pyrimidin-2-yl)methyl]-4-fluoropyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4R)-1-[(4-ethyl-6-oxo-1H-pyrimidin-2-yl)methyl]-4-fluoropyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4R)-1-[(4-ethyl-6-oxo-1H-pyrimidin-2-yl)methyl]-4-fluoropyrrolidine-2-carboxamide is CCc1cc(=O)[nH]c(CN2C[C@H](F)C[C@H]2C(N)=O)n1.
What is the InChIKey of (2S,4R)-1-[(4-ethyl-6-oxo-1H-pyrimidin-2-yl)methyl]-4-fluoropyrrolidine-2-carboxamide?
The InChIKey is XBTSDSIBTMNHGJ-APPZFPTMSA-N. The full InChI is InChI=1S/C12H17FN4O2/c1-2-8-4-11(18)16-10(15-8)6-17-5-7(13)3-9(17)12(14)19/h4,7,9H,2-3,5-6H2,1H3,(H2,14,19)(H,15,16,18)/t7-,9+/m1/s1.
What are the key properties of (2S,4R)-1-[(4-ethyl-6-oxo-1H-pyrimidin-2-yl)methyl]-4-fluoropyrrolidine-2-carboxamide?
(2S,4R)-1-[(4-ethyl-6-oxo-1H-pyrimidin-2-yl)methyl]-4-fluoropyrrolidine-2-carboxamide has a molecular weight of 268.29 g/mol, XLogP of -0.27, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-1-[(4-ethyl-6-oxo-1H-pyrimidin-2-yl)methyl]-4-fluoropyrrolidine-2-carboxamide is sourced from PubChem (CID 137154589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).