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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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).