2,4-dioxo-N-(2-pyrrolidin-3-ylethyl)-1H-pyrimidine-6-carboxamide

C11H16N4O3 — CID 63622496

IUPAC2,4-dioxo-N-(2-pyrrolidin-3-ylethyl)-1H-pyrimidine-6-carboxamide
SMILESO=C(NCCC1CCNC1)c1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C11H16N4O3/c16-9-5-8(14-11(18)15-9)10(17)13-4-2-7-1-3-12-6-7/h5,7,12H,1-4,6H2,(H,13,17)(H2,14,15,16,18)
InChIKeyWNTRYTGKNSXYET-UHFFFAOYSA-N
MW252.27 g/mol
LogP-1.21
Rot. Bonds4

About 2,4-dioxo-N-(2-pyrrolidin-3-ylethyl)-1H-pyrimidine-6-carboxamide

2,4-dioxo-N-(2-pyrrolidin-3-ylethyl)-1H-pyrimidine-6-carboxamide (PubChem CID 63622496) has the molecular formula C11H16N4O3 and a molecular weight of 252.27 g/mol. Its IUPAC name is 2,4-dioxo-N-(2-pyrrolidin-3-ylethyl)-1H-pyrimidine-6-carboxamide.

Molecular Properties

Compound Name2,4-dioxo-N-(2-pyrrolidin-3-ylethyl)-1H-pyrimidine-6-carboxamide
PubChem CID63622496
Molecular FormulaC11H16N4O3
Molecular Weight252.27 g/mol
Exact Mass252.12
IUPAC Name2,4-dioxo-N-(2-pyrrolidin-3-ylethyl)-1H-pyrimidine-6-carboxamide
SMILESO=C(NCCC1CCNC1)c1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C11H16N4O3/c16-9-5-8(14-11(18)15-9)10(17)13-4-2-7-1-3-12-6-7/h5,7,12H,1-4,6H2,(H,13,17)(H2,14,15,16,18)
InChIKeyWNTRYTGKNSXYET-UHFFFAOYSA-N
XLogP-1.21
TPSA106.85 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 5-1.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-hexyl-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 21204487
2,4-dioxo-N-pentyl-1H-pyrimidine-6-carboxamide
CID 110698284
N'-({(2S,4S)-1-[(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)carbonyl]-4-fluoropyrrolidin-2-yl}methyl)-N,N-dimethylurea
CID 70742043
N-(5-diethylaminopentan-2-yl)-2,6-dioxo-3H-pyrimidine-4-carboxamide
CID 301456
5-(4-methylpentylamino)-1H-pyrimidine-2,4-dione
CID 156186533
6-[[(1-Ethylpyrrolidin-2-yl)methylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 43233578
N-(3-azabicyclo[3.1.0]hexan-6-yl)-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 43594393
6-[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole-1-carbonyl]-1H-pyrimidine-2,4-dione
CID 43594686
6-(2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole-1-carbonyl)-1H-pyrimidine-2,4-dione
CID 43595501
6-[(4,4-Diethyl-2,5-dioxoimidazolidin-1-yl)methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 45801587
N-(2-aminocyclopentyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 55169513
6-[4-(methylaminomethyl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione
CID 55176062

Frequently Asked Questions

What is the IUPAC name of 2,4-dioxo-N-(2-pyrrolidin-3-ylethyl)-1H-pyrimidine-6-carboxamide?
The IUPAC name of 2,4-dioxo-N-(2-pyrrolidin-3-ylethyl)-1H-pyrimidine-6-carboxamide (CID 63622496) is 2,4-dioxo-N-(2-pyrrolidin-3-ylethyl)-1H-pyrimidine-6-carboxamide.
What is the SMILES notation for 2,4-dioxo-N-(2-pyrrolidin-3-ylethyl)-1H-pyrimidine-6-carboxamide?
The canonical SMILES for 2,4-dioxo-N-(2-pyrrolidin-3-ylethyl)-1H-pyrimidine-6-carboxamide is O=C(NCCC1CCNC1)c1cc(=O)[nH]c(=O)[nH]1.
What is the InChIKey of 2,4-dioxo-N-(2-pyrrolidin-3-ylethyl)-1H-pyrimidine-6-carboxamide?
The InChIKey is WNTRYTGKNSXYET-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O3/c16-9-5-8(14-11(18)15-9)10(17)13-4-2-7-1-3-12-6-7/h5,7,12H,1-4,6H2,(H,13,17)(H2,14,15,16,18).
What are the key properties of 2,4-dioxo-N-(2-pyrrolidin-3-ylethyl)-1H-pyrimidine-6-carboxamide?
2,4-dioxo-N-(2-pyrrolidin-3-ylethyl)-1H-pyrimidine-6-carboxamide has a molecular weight of 252.27 g/mol, XLogP of -1.21, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dioxo-N-(2-pyrrolidin-3-ylethyl)-1H-pyrimidine-6-carboxamide is sourced from PubChem (CID 63622496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).