(2S)-1-acetyl-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]pyrrolidine-2-carboxamide

C14H20N4O3 — CID 136662249

IUPAC(2S)-1-acetyl-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]pyrrolidine-2-carboxamide
SMILESCC(=O)N1CCC[C@H]1C(=O)NCCc1nc(C)cc(=O)[nH]1
InChIInChI=1S/C14H20N4O3/c1-9-8-13(20)17-12(16-9)5-6-15-14(21)11-4-3-7-18(11)10(2)19/h8,11H,3-7H2,1-2H3,(H,15,21)(H,16,17,20)/t11-/m0/s1
InChIKeyFALFUXFMHKWXQM-NSHDSACASA-N
MW292.34 g/mol
LogP-0.25
Rot. Bonds4

About (2S)-1-acetyl-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]pyrrolidine-2-carboxamide

(2S)-1-acetyl-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]pyrrolidine-2-carboxamide (PubChem CID 136662249) has the molecular formula C14H20N4O3 and a molecular weight of 292.34 g/mol. Its IUPAC name is (2S)-1-acetyl-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-acetyl-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]pyrrolidine-2-carboxamide
PubChem CID136662249
Molecular FormulaC14H20N4O3
Molecular Weight292.34 g/mol
Exact Mass292.15
IUPAC Name(2S)-1-acetyl-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]pyrrolidine-2-carboxamide
SMILESCC(=O)N1CCC[C@H]1C(=O)NCCc1nc(C)cc(=O)[nH]1
InChIInChI=1S/C14H20N4O3/c1-9-8-13(20)17-12(16-9)5-6-15-14(21)11-4-3-7-18(11)10(2)19/h8,11H,3-7H2,1-2H3,(H,15,21)(H,16,17,20)/t11-/m0/s1
InChIKeyFALFUXFMHKWXQM-NSHDSACASA-N
XLogP-0.25
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 5-0.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S)-1-acetyl-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]pyrrolidine-2-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

(3S)-3-ethyl-4-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)methyl]-1,4-diazepan-2-one
CID 136585933
N~1~-[2-(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)ethyl]-L-norvalinamide
CID 136664961
(2S,4R)-1-[(4-ethyl-6-oxo-1H-pyrimidin-2-yl)methyl]-4-fluoropyrrolidine-2-carboxamide
CID 137154589
2-[[(5-Oxopyrrolidin-2-yl)methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 64432596
2-acetamido-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxamide
CID 142147356
1-Methyl-2-(1-methylpyrrolidin-2-yl)-6-oxopyrimidine-4-carboxamide
CID 152554812
2-[[[(2R)-5-oxopyrrolidin-2-yl]methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 166692610
2-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 166692623
2-[[methyl-[[(2S)-5-oxopyrrolidin-2-yl]methyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 168723193
2-[[Methyl-[(5-oxopyrrolidin-2-yl)methyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 168723228
(6S)-3-(methylamino)-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxamide
CID 171655027
N-[(6-amino-2-oxo-1H-pyridin-3-yl)methyl]-3-(methylamino)-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxamide
CID 171655111

Frequently Asked Questions

What is the IUPAC name of (2S)-1-acetyl-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-acetyl-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]pyrrolidine-2-carboxamide (CID 136662249) is (2S)-1-acetyl-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-acetyl-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-acetyl-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]pyrrolidine-2-carboxamide is CC(=O)N1CCC[C@H]1C(=O)NCCc1nc(C)cc(=O)[nH]1.
What is the InChIKey of (2S)-1-acetyl-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]pyrrolidine-2-carboxamide?
The InChIKey is FALFUXFMHKWXQM-NSHDSACASA-N. The full InChI is InChI=1S/C14H20N4O3/c1-9-8-13(20)17-12(16-9)5-6-15-14(21)11-4-3-7-18(11)10(2)19/h8,11H,3-7H2,1-2H3,(H,15,21)(H,16,17,20)/t11-/m0/s1.
What are the key properties of (2S)-1-acetyl-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]pyrrolidine-2-carboxamide?
(2S)-1-acetyl-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]pyrrolidine-2-carboxamide has a molecular weight of 292.34 g/mol, XLogP of -0.25, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-acetyl-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 136662249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).