N-ethyl-2,4-dioxo-N-piperidin-3-yl-1H-pyrimidine-5-carboxamide

C12H18N4O3 — CID 63636561

IUPACN-ethyl-2,4-dioxo-N-piperidin-3-yl-1H-pyrimidine-5-carboxamide
SMILESCCN(C(=O)c1c[nH]c(=O)[nH]c1=O)C1CCCNC1
InChIInChI=1S/C12H18N4O3/c1-2-16(8-4-3-5-13-6-8)11(18)9-7-14-12(19)15-10(9)17/h7-8,13H,2-6H2,1H3,(H2,14,15,17,19)
InChIKeySWMPWGXFWLPUPQ-UHFFFAOYSA-N
MW266.30 g/mol
LogP-0.72
Rot. Bonds3

About N-ethyl-2,4-dioxo-N-piperidin-3-yl-1H-pyrimidine-5-carboxamide

N-ethyl-2,4-dioxo-N-piperidin-3-yl-1H-pyrimidine-5-carboxamide (PubChem CID 63636561) has the molecular formula C12H18N4O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is N-ethyl-2,4-dioxo-N-piperidin-3-yl-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-ethyl-2,4-dioxo-N-piperidin-3-yl-1H-pyrimidine-5-carboxamide
PubChem CID63636561
Molecular FormulaC12H18N4O3
Molecular Weight266.30 g/mol
Exact Mass266.14
IUPAC NameN-ethyl-2,4-dioxo-N-piperidin-3-yl-1H-pyrimidine-5-carboxamide
SMILESCCN(C(=O)c1c[nH]c(=O)[nH]c1=O)C1CCCNC1
InChIInChI=1S/C12H18N4O3/c1-2-16(8-4-3-5-13-6-8)11(18)9-7-14-12(19)15-10(9)17/h7-8,13H,2-6H2,1H3,(H2,14,15,17,19)
InChIKeySWMPWGXFWLPUPQ-UHFFFAOYSA-N
XLogP-0.72
TPSA98.06 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 5-0.72
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-piperidin-3-yl-1H-pyrimidine-5-carboxamide?
The IUPAC name of N-ethyl-2,4-dioxo-N-piperidin-3-yl-1H-pyrimidine-5-carboxamide (CID 63636561) is N-ethyl-2,4-dioxo-N-piperidin-3-yl-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for N-ethyl-2,4-dioxo-N-piperidin-3-yl-1H-pyrimidine-5-carboxamide?
The canonical SMILES for N-ethyl-2,4-dioxo-N-piperidin-3-yl-1H-pyrimidine-5-carboxamide is CCN(C(=O)c1c[nH]c(=O)[nH]c1=O)C1CCCNC1.
What is the InChIKey of N-ethyl-2,4-dioxo-N-piperidin-3-yl-1H-pyrimidine-5-carboxamide?
The InChIKey is SWMPWGXFWLPUPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3/c1-2-16(8-4-3-5-13-6-8)11(18)9-7-14-12(19)15-10(9)17/h7-8,13H,2-6H2,1H3,(H2,14,15,17,19).
What are the key properties of N-ethyl-2,4-dioxo-N-piperidin-3-yl-1H-pyrimidine-5-carboxamide?
N-ethyl-2,4-dioxo-N-piperidin-3-yl-1H-pyrimidine-5-carboxamide has a molecular weight of 266.30 g/mol, XLogP of -0.72, 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-piperidin-3-yl-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 63636561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).