N-ethyl-2,4-dioxo-N-pyrrolidin-3-yl-1H-pyrimidine-6-carboxamide

C11H16N4O3 — CID 63299699

IUPACN-ethyl-2,4-dioxo-N-pyrrolidin-3-yl-1H-pyrimidine-6-carboxamide
SMILESCCN(C(=O)c1cc(=O)[nH]c(=O)[nH]1)C1CCNC1
InChIInChI=1S/C11H16N4O3/c1-2-15(7-3-4-12-6-7)10(17)8-5-9(16)14-11(18)13-8/h5,7,12H,2-4,6H2,1H3,(H2,13,14,16,18)
InChIKeyFCGBAEZWYSMIQE-UHFFFAOYSA-N
MW252.27 g/mol
LogP-1.11
Rot. Bonds3

About N-ethyl-2,4-dioxo-N-pyrrolidin-3-yl-1H-pyrimidine-6-carboxamide

N-ethyl-2,4-dioxo-N-pyrrolidin-3-yl-1H-pyrimidine-6-carboxamide (PubChem CID 63299699) has the molecular formula C11H16N4O3 and a molecular weight of 252.27 g/mol. Its IUPAC name is N-ethyl-2,4-dioxo-N-pyrrolidin-3-yl-1H-pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-ethyl-2,4-dioxo-N-pyrrolidin-3-yl-1H-pyrimidine-6-carboxamide
PubChem CID63299699
Molecular FormulaC11H16N4O3
Molecular Weight252.27 g/mol
Exact Mass252.12
IUPAC NameN-ethyl-2,4-dioxo-N-pyrrolidin-3-yl-1H-pyrimidine-6-carboxamide
SMILESCCN(C(=O)c1cc(=O)[nH]c(=O)[nH]1)C1CCNC1
InChIInChI=1S/C11H16N4O3/c1-2-15(7-3-4-12-6-7)10(17)8-5-9(16)14-11(18)13-8/h5,7,12H,2-4,6H2,1H3,(H2,13,14,16,18)
InChIKeyFCGBAEZWYSMIQE-UHFFFAOYSA-N
XLogP-1.11
TPSA98.06 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 5-1.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,4-dioxo-N-pyrrolidin-3-yl-1H-pyrimidine-6-carboxamide?
The IUPAC name of N-ethyl-2,4-dioxo-N-pyrrolidin-3-yl-1H-pyrimidine-6-carboxamide (CID 63299699) is N-ethyl-2,4-dioxo-N-pyrrolidin-3-yl-1H-pyrimidine-6-carboxamide.
What is the SMILES notation for N-ethyl-2,4-dioxo-N-pyrrolidin-3-yl-1H-pyrimidine-6-carboxamide?
The canonical SMILES for N-ethyl-2,4-dioxo-N-pyrrolidin-3-yl-1H-pyrimidine-6-carboxamide is CCN(C(=O)c1cc(=O)[nH]c(=O)[nH]1)C1CCNC1.
What is the InChIKey of N-ethyl-2,4-dioxo-N-pyrrolidin-3-yl-1H-pyrimidine-6-carboxamide?
The InChIKey is FCGBAEZWYSMIQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O3/c1-2-15(7-3-4-12-6-7)10(17)8-5-9(16)14-11(18)13-8/h5,7,12H,2-4,6H2,1H3,(H2,13,14,16,18).
What are the key properties of N-ethyl-2,4-dioxo-N-pyrrolidin-3-yl-1H-pyrimidine-6-carboxamide?
N-ethyl-2,4-dioxo-N-pyrrolidin-3-yl-1H-pyrimidine-6-carboxamide has a molecular weight of 252.27 g/mol, XLogP of -1.11, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,4-dioxo-N-pyrrolidin-3-yl-1H-pyrimidine-6-carboxamide is sourced from PubChem (CID 63299699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).