2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[2-(2-oxopyrrolidin-1-yl)ethyl]acetamide

C13H18N4O4 — CID 77091036

IUPAC2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[2-(2-oxopyrrolidin-1-yl)ethyl]acetamide
SMILESCc1[nH]c(=O)[nH]c(=O)c1CC(=O)NCCN1CCCC1=O
InChIInChI=1S/C13H18N4O4/c1-8-9(12(20)16-13(21)15-8)7-10(18)14-4-6-17-5-2-3-11(17)19/h2-7H2,1H3,(H,14,18)(H2,15,16,20,21)
InChIKeyYYRDLRJINRFFAE-UHFFFAOYSA-N
MW294.31 g/mol
LogP-1.35
Rot. Bonds5

About 2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[2-(2-oxopyrrolidin-1-yl)ethyl]acetamide

2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[2-(2-oxopyrrolidin-1-yl)ethyl]acetamide (PubChem CID 77091036) has the molecular formula C13H18N4O4 and a molecular weight of 294.31 g/mol. Its IUPAC name is 2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[2-(2-oxopyrrolidin-1-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[2-(2-oxopyrrolidin-1-yl)ethyl]acetamide
PubChem CID77091036
Molecular FormulaC13H18N4O4
Molecular Weight294.31 g/mol
Exact Mass294.13
IUPAC Name2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[2-(2-oxopyrrolidin-1-yl)ethyl]acetamide
SMILESCc1[nH]c(=O)[nH]c(=O)c1CC(=O)NCCN1CCCC1=O
InChIInChI=1S/C13H18N4O4/c1-8-9(12(20)16-13(21)15-8)7-10(18)14-4-6-17-5-2-3-11(17)19/h2-7H2,1H3,(H,14,18)(H2,15,16,20,21)
InChIKeyYYRDLRJINRFFAE-UHFFFAOYSA-N
XLogP-1.35
TPSA115.13 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 5-1.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopentyl-2-(6-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)acetamide
CID 45497048
N-[(3S)-1-cycloheptyl-5-oxopyrrolidin-3-yl]-2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide
CID 95719822
3,8-Diethyl-1-methyl-2,4,7-trioxo-N-[2-(pyrrolidin-1-YL)ethyl]-1H,2H,3H,4H,7H,8H-pyrido[2,3-D]pyrimidine-5-carboxamide
CID 53006475
1,3,8-trimethyl-2,4,7-trioxo-N-(2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidine-5-carboxamide
CID 53006497
5-(1,4-Dimethyl-2,5-dioxopyrrol-3-yl)-1,6-dimethylpyrimidine-2,4-dione
CID 20716755
2,3-di(propan-2-yl)-6,7,8,8a-tetrahydro-1H-pyrrolo[1,2-a]pyrimidin-4-one
CID 57822119
5,6-bis(2-aminoethyl)-3-propyl-1H-pyrimidine-2,4-dione
CID 69294271
5,6-bis(2-aminoethyl)-3-(2-methylpropyl)-1H-pyrimidine-2,4-dione
CID 91456401
2-ethyl-3-propan-2-yl-6,7,8,8a-tetrahydro-1H-pyrrolo[1,2-a]pyrimidin-4-one
CID 129059147
1-Methyl-3-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-dione
CID 146614595
2-(4-cyano-1,3-dioxo-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidin-2-yl)-N-methyl-N-[2-(methylamino)-2-oxoethyl]acetamide
CID 8162940
2-(4-cyano-1,3-dioxo-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidin-2-yl)-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]acetamide
CID 8162993

Frequently Asked Questions

What is the IUPAC name of 2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[2-(2-oxopyrrolidin-1-yl)ethyl]acetamide?
The IUPAC name of 2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[2-(2-oxopyrrolidin-1-yl)ethyl]acetamide (CID 77091036) is 2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[2-(2-oxopyrrolidin-1-yl)ethyl]acetamide.
What is the SMILES notation for 2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[2-(2-oxopyrrolidin-1-yl)ethyl]acetamide?
The canonical SMILES for 2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[2-(2-oxopyrrolidin-1-yl)ethyl]acetamide is Cc1[nH]c(=O)[nH]c(=O)c1CC(=O)NCCN1CCCC1=O.
What is the InChIKey of 2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[2-(2-oxopyrrolidin-1-yl)ethyl]acetamide?
The InChIKey is YYRDLRJINRFFAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O4/c1-8-9(12(20)16-13(21)15-8)7-10(18)14-4-6-17-5-2-3-11(17)19/h2-7H2,1H3,(H,14,18)(H2,15,16,20,21).
What are the key properties of 2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[2-(2-oxopyrrolidin-1-yl)ethyl]acetamide?
2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[2-(2-oxopyrrolidin-1-yl)ethyl]acetamide has a molecular weight of 294.31 g/mol, XLogP of -1.35, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[2-(2-oxopyrrolidin-1-yl)ethyl]acetamide is sourced from PubChem (CID 77091036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).