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

C12H18N4O3 — CID 60805228

IUPACN-ethyl-2,4-dioxo-N-piperidin-4-yl-1H-pyrimidine-6-carboxamide
SMILESCCN(C(=O)c1cc(=O)[nH]c(=O)[nH]1)C1CCNCC1
InChIInChI=1S/C12H18N4O3/c1-2-16(8-3-5-13-6-4-8)11(18)9-7-10(17)15-12(19)14-9/h7-8,13H,2-6H2,1H3,(H2,14,15,17,19)
InChIKeyNIJOEEYXJDXIDB-UHFFFAOYSA-N
MW266.30 g/mol
LogP-0.72
Rot. Bonds3

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

N-ethyl-2,4-dioxo-N-piperidin-4-yl-1H-pyrimidine-6-carboxamide (PubChem CID 60805228) 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-4-yl-1H-pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-ethyl-2,4-dioxo-N-piperidin-4-yl-1H-pyrimidine-6-carboxamide
PubChem CID60805228
Molecular FormulaC12H18N4O3
Molecular Weight266.30 g/mol
Exact Mass266.14
IUPAC NameN-ethyl-2,4-dioxo-N-piperidin-4-yl-1H-pyrimidine-6-carboxamide
SMILESCCN(C(=O)c1cc(=O)[nH]c(=O)[nH]1)C1CCNCC1
InChIInChI=1S/C12H18N4O3/c1-2-16(8-3-5-13-6-4-8)11(18)9-7-10(17)15-12(19)14-9/h7-8,13H,2-6H2,1H3,(H2,14,15,17,19)
InChIKeyNIJOEEYXJDXIDB-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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Related Compounds

6-Amino-1-methyl-5-(1-piperidinyl)-2,4(1H,3H)-pyrimidinedione
CID 2497562
N-hexyl-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 21204487
6-[(3R)-3-aminopiperidin-1-yl]-1-but-2-ynyl-3-methylpyrimidine-2,4-dione
CID 72707535
5-(Cyclohexylmethylamino)-1,3-dihydropyrimidine-2,4-dione
CID 899001
1,3-Dimethyl-6-(2-piperidin-1-ylethylamino)pyrimidine-2,4-dione
CID 657656
N-hexyl-5-(4-methylpiperazin-1-yl)-2,4-dioxopyrimidine-1-carboxamide
CID 71654889
N-Isopropyl-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxamide
CID 2227167
6-[(3R)-3-aminopiperidin-1-yl]-1,3-bis(but-2-ynyl)pyrimidine-2,4-dione
CID 72707536
2,4-dioxo-N-pentyl-1H-pyrimidine-6-carboxamide
CID 110698284
5-(piperidin-1-yl)pyrimidine-2,4(1H,3H)-dione
CID 745053
1,3-Dimethyl-6-[[4-(2-oxoimidazolidin-1-yl)piperidin-1-yl]methyl]pyrimidine-2,4-dione
CID 56796823
1,3-Dimethyl-6-[[3-(2-oxoimidazolidin-1-yl)piperidin-1-yl]methyl]pyrimidine-2,4-dione
CID 56821553

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,4-dioxo-N-piperidin-4-yl-1H-pyrimidine-6-carboxamide?
The IUPAC name of N-ethyl-2,4-dioxo-N-piperidin-4-yl-1H-pyrimidine-6-carboxamide (CID 60805228) is N-ethyl-2,4-dioxo-N-piperidin-4-yl-1H-pyrimidine-6-carboxamide.
What is the SMILES notation for N-ethyl-2,4-dioxo-N-piperidin-4-yl-1H-pyrimidine-6-carboxamide?
The canonical SMILES for N-ethyl-2,4-dioxo-N-piperidin-4-yl-1H-pyrimidine-6-carboxamide is CCN(C(=O)c1cc(=O)[nH]c(=O)[nH]1)C1CCNCC1.
What is the InChIKey of N-ethyl-2,4-dioxo-N-piperidin-4-yl-1H-pyrimidine-6-carboxamide?
The InChIKey is NIJOEEYXJDXIDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3/c1-2-16(8-3-5-13-6-4-8)11(18)9-7-10(17)15-12(19)14-9/h7-8,13H,2-6H2,1H3,(H2,14,15,17,19).
What are the key properties of N-ethyl-2,4-dioxo-N-piperidin-4-yl-1H-pyrimidine-6-carboxamide?
N-ethyl-2,4-dioxo-N-piperidin-4-yl-1H-pyrimidine-6-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-4-yl-1H-pyrimidine-6-carboxamide is sourced from PubChem (CID 60805228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).