2,4-dioxo-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]-1H-pyrimidine-5-carboxamide

C11H16N4O3 — CID 104972179

IUPAC2,4-dioxo-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]-1H-pyrimidine-5-carboxamide
SMILESO=C(NCC[C@@H]1CCCN1)c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C11H16N4O3/c16-9(8-6-14-11(18)15-10(8)17)13-5-3-7-2-1-4-12-7/h6-7,12H,1-5H2,(H,13,16)(H2,14,15,17,18)/t7-/m0/s1
InChIKeyVSGWBQFSVOVCGJ-ZETCQYMHSA-N
MW252.27 g/mol
LogP-1.06
Rot. Bonds4

About 2,4-dioxo-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]-1H-pyrimidine-5-carboxamide

2,4-dioxo-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]-1H-pyrimidine-5-carboxamide (PubChem CID 104972179) has the molecular formula C11H16N4O3 and a molecular weight of 252.27 g/mol. Its IUPAC name is 2,4-dioxo-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2,4-dioxo-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]-1H-pyrimidine-5-carboxamide
PubChem CID104972179
Molecular FormulaC11H16N4O3
Molecular Weight252.27 g/mol
Exact Mass252.12
IUPAC Name2,4-dioxo-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]-1H-pyrimidine-5-carboxamide
SMILESO=C(NCC[C@@H]1CCCN1)c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C11H16N4O3/c16-9(8-6-14-11(18)15-10(8)17)13-5-3-7-2-1-4-12-7/h6-7,12H,1-5H2,(H,13,16)(H2,14,15,17,18)/t7-/m0/s1
InChIKeyVSGWBQFSVOVCGJ-ZETCQYMHSA-N
XLogP-1.06
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 ≤ 5-1.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

6-methyl-4-oxo-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]-1H-pyridine-3-carboxamide
CID 104955353
2-oxo-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]-1H-pyridine-3-carboxamide
CID 104972057
2-bromo-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzamide
CID 104972061
2,6-difluoro-N-(2-pyrrolidin-2-ylethyl)benzamide
CID 114793746
2,4-dihydroxy-N-(2-pyrrolidin-2-ylethyl)benzamide
CID 114793797
2,5-dimethyl-N-(2-pyrrolidin-2-ylethyl)benzamide
CID 114793749
4-chloro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]-1H-pyrrole-2-carboxamide
CID 104971798
2-ethyl-N-(2-pyrrolidin-2-ylethyl)benzamide
CID 114793888
5-chloro-2-fluoro-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]benzamide
CID 104955212
5-chloro-2-fluoro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzamide
CID 104971959
1,5,6-trimethyl-2-oxo-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]pyridine-3-carboxamide
CID 74231255
N-[2-[(2S)-pyrrolidin-2-yl]ethyl]-1H-imidazole-5-carboxamide
CID 104972137

Frequently Asked Questions

What is the IUPAC name of 2,4-dioxo-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]-1H-pyrimidine-5-carboxamide?
The IUPAC name of 2,4-dioxo-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]-1H-pyrimidine-5-carboxamide (CID 104972179) is 2,4-dioxo-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for 2,4-dioxo-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]-1H-pyrimidine-5-carboxamide?
The canonical SMILES for 2,4-dioxo-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]-1H-pyrimidine-5-carboxamide is O=C(NCC[C@@H]1CCCN1)c1c[nH]c(=O)[nH]c1=O.
What is the InChIKey of 2,4-dioxo-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]-1H-pyrimidine-5-carboxamide?
The InChIKey is VSGWBQFSVOVCGJ-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H16N4O3/c16-9(8-6-14-11(18)15-10(8)17)13-5-3-7-2-1-4-12-7/h6-7,12H,1-5H2,(H,13,16)(H2,14,15,17,18)/t7-/m0/s1.
What are the key properties of 2,4-dioxo-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]-1H-pyrimidine-5-carboxamide?
2,4-dioxo-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]-1H-pyrimidine-5-carboxamide has a molecular weight of 252.27 g/mol, XLogP of -1.06, 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-[(2S)-pyrrolidin-2-yl]ethyl]-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 104972179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).