N-[(3S)-1-[2-(6-methyl-2,4-dioxo-1H-pyrimidin-3-yl)ethyl]pyrrolidin-3-yl]acetamide

C13H20N4O3 — CID 91838023

IUPACN-[(3S)-1-[2-(6-methyl-2,4-dioxo-1H-pyrimidin-3-yl)ethyl]pyrrolidin-3-yl]acetamide
SMILESCC(=O)N[C@H]1CCN(CCn2c(=O)cc(C)[nH]c2=O)C1
InChIInChI=1S/C13H20N4O3/c1-9-7-12(19)17(13(20)14-9)6-5-16-4-3-11(8-16)15-10(2)18/h7,11H,3-6,8H2,1-2H3,(H,14,20)(H,15,18)/t11-/m0/s1
InChIKeyVYKIRDYGXBMUME-NSHDSACASA-N
MW280.33 g/mol
LogP-0.94
Rot. Bonds4

About N-[(3S)-1-[2-(6-methyl-2,4-dioxo-1H-pyrimidin-3-yl)ethyl]pyrrolidin-3-yl]acetamide

N-[(3S)-1-[2-(6-methyl-2,4-dioxo-1H-pyrimidin-3-yl)ethyl]pyrrolidin-3-yl]acetamide (PubChem CID 91838023) has the molecular formula C13H20N4O3 and a molecular weight of 280.33 g/mol. Its IUPAC name is N-[(3S)-1-[2-(6-methyl-2,4-dioxo-1H-pyrimidin-3-yl)ethyl]pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[(3S)-1-[2-(6-methyl-2,4-dioxo-1H-pyrimidin-3-yl)ethyl]pyrrolidin-3-yl]acetamide
PubChem CID91838023
Molecular FormulaC13H20N4O3
Molecular Weight280.33 g/mol
Exact Mass280.15
IUPAC NameN-[(3S)-1-[2-(6-methyl-2,4-dioxo-1H-pyrimidin-3-yl)ethyl]pyrrolidin-3-yl]acetamide
SMILESCC(=O)N[C@H]1CCN(CCn2c(=O)cc(C)[nH]c2=O)C1
InChIInChI=1S/C13H20N4O3/c1-9-7-12(19)17(13(20)14-9)6-5-16-4-3-11(8-16)15-10(2)18/h7,11H,3-6,8H2,1-2H3,(H,14,20)(H,15,18)/t11-/m0/s1
InChIKeyVYKIRDYGXBMUME-NSHDSACASA-N
XLogP-0.94
TPSA87.20 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 5-0.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(3S)-1-[2-(6-methyl-2,4-dioxo-1H-pyrimidin-3-yl)ethyl]pyrrolidin-3-yl]acetamide with MolForge

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Related Compounds

3-sec-Butyl-6-methyluracil
CID 100019
Uracil, 3-butyl-6-methyl-
CID 70528
1,3-Dimethyl-6-[[4-(2-oxoimidazolidin-1-yl)piperidin-1-yl]methyl]pyrimidine-2,4-dione
CID 56796823
1,3-Dimethyl-6-[[3-(2-oxoimidazolidin-1-yl)piperidin-1-yl]methyl]pyrimidine-2,4-dione
CID 56821553
6-[[(2R)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methyl]-1H-pyrimidine-2,4-dione
CID 172433754
1-Butyl-6-methyluracil
CID 12703038
6-(3-Aminopyrrolidin-1-yl)-3-methyl-1,2,3,4-tetrahydropyrimidine-2,4-dione dihydrochloride
CID 132343958
6-[(3R)-3-aminopyrrolidin-1-yl]-3-ethyl-1,2,3,4-tetrahydropyrimidine-2,4-dione hydrochloride
CID 145867708
6-[(3R)-3-aminopyrrolidin-1-yl]-1,2,3,4-tetrahydropyrimidine-2,4-dione hydrochloride
CID 165950151
N-[(2,6-Dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)methyl]butanamide
CID 21793941
N~1~,N~2~-dimethyl-N~2~-[2-(4-methyl-2,6-dioxo-3,6-dihydropyrimidin-1(2H)-yl)ethyl]glycinamide
CID 91842553
1-[(3S)-1-(2,2-difluoroethyl)pyrrolidin-3-yl]-3-(1-methyl-2-oxo-4-pyridinyl)urea
CID 164642079

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-[2-(6-methyl-2,4-dioxo-1H-pyrimidin-3-yl)ethyl]pyrrolidin-3-yl]acetamide?
The IUPAC name of N-[(3S)-1-[2-(6-methyl-2,4-dioxo-1H-pyrimidin-3-yl)ethyl]pyrrolidin-3-yl]acetamide (CID 91838023) is N-[(3S)-1-[2-(6-methyl-2,4-dioxo-1H-pyrimidin-3-yl)ethyl]pyrrolidin-3-yl]acetamide.
What is the SMILES notation for N-[(3S)-1-[2-(6-methyl-2,4-dioxo-1H-pyrimidin-3-yl)ethyl]pyrrolidin-3-yl]acetamide?
The canonical SMILES for N-[(3S)-1-[2-(6-methyl-2,4-dioxo-1H-pyrimidin-3-yl)ethyl]pyrrolidin-3-yl]acetamide is CC(=O)N[C@H]1CCN(CCn2c(=O)cc(C)[nH]c2=O)C1.
What is the InChIKey of N-[(3S)-1-[2-(6-methyl-2,4-dioxo-1H-pyrimidin-3-yl)ethyl]pyrrolidin-3-yl]acetamide?
The InChIKey is VYKIRDYGXBMUME-NSHDSACASA-N. The full InChI is InChI=1S/C13H20N4O3/c1-9-7-12(19)17(13(20)14-9)6-5-16-4-3-11(8-16)15-10(2)18/h7,11H,3-6,8H2,1-2H3,(H,14,20)(H,15,18)/t11-/m0/s1.
What are the key properties of N-[(3S)-1-[2-(6-methyl-2,4-dioxo-1H-pyrimidin-3-yl)ethyl]pyrrolidin-3-yl]acetamide?
N-[(3S)-1-[2-(6-methyl-2,4-dioxo-1H-pyrimidin-3-yl)ethyl]pyrrolidin-3-yl]acetamide has a molecular weight of 280.33 g/mol, XLogP of -0.94, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-[2-(6-methyl-2,4-dioxo-1H-pyrimidin-3-yl)ethyl]pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 91838023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).