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

C12H18N4O3 — CID 60805896

IUPACN-ethyl-2,4-dioxo-N-piperidin-4-yl-1H-pyrimidine-5-carboxamide
SMILESCCN(C(=O)c1c[nH]c(=O)[nH]c1=O)C1CCNCC1
InChIInChI=1S/C12H18N4O3/c1-2-16(8-3-5-13-6-4-8)11(18)9-7-14-12(19)15-10(9)17/h7-8,13H,2-6H2,1H3,(H2,14,15,17,19)
InChIKeySIYHNOICFQVVOC-UHFFFAOYSA-N
MW266.30 g/mol
LogP-0.72
Rot. Bonds3

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

N-ethyl-2,4-dioxo-N-piperidin-4-yl-1H-pyrimidine-5-carboxamide (PubChem CID 60805896) 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-5-carboxamide.

Molecular Properties

Compound NameN-ethyl-2,4-dioxo-N-piperidin-4-yl-1H-pyrimidine-5-carboxamide
PubChem CID60805896
Molecular FormulaC12H18N4O3
Molecular Weight266.30 g/mol
Exact Mass266.14
IUPAC NameN-ethyl-2,4-dioxo-N-piperidin-4-yl-1H-pyrimidine-5-carboxamide
SMILESCCN(C(=O)c1c[nH]c(=O)[nH]c1=O)C1CCNCC1
InChIInChI=1S/C12H18N4O3/c1-2-16(8-3-5-13-6-4-8)11(18)9-7-14-12(19)15-10(9)17/h7-8,13H,2-6H2,1H3,(H2,14,15,17,19)
InChIKeySIYHNOICFQVVOC-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

Chinoin 127
CID 155639
CID 421651
CID 421651
N-butyl-1-methyl-2,4-dioxopyrimidine-5-carboxamide
CID 25185739
1-octyl-N-[6-[(1-octyl-2,4-dioxopyrimidine-5-carbonyl)amino]hexyl]-2,4-dioxopyrimidine-5-carboxamide
CID 25186011
1-octyl-N-[7-[(1-octyl-2,4-dioxopyrimidine-5-carbonyl)amino]heptyl]-2,4-dioxopyrimidine-5-carboxamide
CID 25186012
1-octyl-N-[8-[(1-octyl-2,4-dioxopyrimidine-5-carbonyl)amino]octyl]-2,4-dioxopyrimidine-5-carboxamide
CID 25186285
3-Cyclohexyl-6-hydroxy-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboximidamide
CID 367238
N-(2-diethylaminoethyl)-1-methyl-2,4-dioxo-pyrimidine-5-carboxamide
CID 176468645
4-amino-N-butyl-1,3-dimethyl-2,6-dioxopyrimidine-5-carboxamide
CID 12283080
rel-(6R,9aS)-1,6,7,8,9,9a-Hexahydro-1,6-dimethyl-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carboxamide
CID 12473939
1-[2-(3-ethylpiperazin-1-yl)-2-oxoethyl]-5-methylpyrimidine-2,4(1H,3H)-dione
CID 56705900
5-(Aminomethyl)-1-cyclohexyl-3-methylpyrimidine-2,4-dione
CID 3041128

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,4-dioxo-N-piperidin-4-yl-1H-pyrimidine-5-carboxamide?
The IUPAC name of N-ethyl-2,4-dioxo-N-piperidin-4-yl-1H-pyrimidine-5-carboxamide (CID 60805896) is N-ethyl-2,4-dioxo-N-piperidin-4-yl-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for N-ethyl-2,4-dioxo-N-piperidin-4-yl-1H-pyrimidine-5-carboxamide?
The canonical SMILES for N-ethyl-2,4-dioxo-N-piperidin-4-yl-1H-pyrimidine-5-carboxamide is CCN(C(=O)c1c[nH]c(=O)[nH]c1=O)C1CCNCC1.
What is the InChIKey of N-ethyl-2,4-dioxo-N-piperidin-4-yl-1H-pyrimidine-5-carboxamide?
The InChIKey is SIYHNOICFQVVOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3/c1-2-16(8-3-5-13-6-4-8)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-4-yl-1H-pyrimidine-5-carboxamide?
N-ethyl-2,4-dioxo-N-piperidin-4-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-4-yl-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 60805896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).