2,4-dioxo-1-piperidin-1-ylpyrimidine-5-carbonitrile

C10H12N4O2 — CID 2763482

IUPAC2,4-dioxo-1-piperidin-1-ylpyrimidine-5-carbonitrile
SMILESN#Cc1cn(N2CCCCC2)c(=O)[nH]c1=O
InChIInChI=1S/C10H12N4O2/c11-6-8-7-14(10(16)12-9(8)15)13-4-2-1-3-5-13/h7H,1-5H2,(H,12,15,16)
InChIKeyMINGVSNUGMBYHH-UHFFFAOYSA-N
MW220.23 g/mol
LogP-0.47
Rot. Bonds1

About 2,4-dioxo-1-piperidin-1-ylpyrimidine-5-carbonitrile

2,4-dioxo-1-piperidin-1-ylpyrimidine-5-carbonitrile (PubChem CID 2763482) has the molecular formula C10H12N4O2 and a molecular weight of 220.23 g/mol. Its IUPAC name is 2,4-dioxo-1-piperidin-1-ylpyrimidine-5-carbonitrile.

Molecular Properties

Compound Name2,4-dioxo-1-piperidin-1-ylpyrimidine-5-carbonitrile
PubChem CID2763482
Molecular FormulaC10H12N4O2
Molecular Weight220.23 g/mol
Exact Mass220.10
IUPAC Name2,4-dioxo-1-piperidin-1-ylpyrimidine-5-carbonitrile
SMILESN#Cc1cn(N2CCCCC2)c(=O)[nH]c1=O
InChIInChI=1S/C10H12N4O2/c11-6-8-7-14(10(16)12-9(8)15)13-4-2-1-3-5-13/h7H,1-5H2,(H,12,15,16)
InChIKeyMINGVSNUGMBYHH-UHFFFAOYSA-N
XLogP-0.47
TPSA81.89 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 5-0.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Piperidinylthymine
CID 166175013
1-(Dimethylamino)-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile
CID 246422
1-Morpholino-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinecarbonitrile
CID 2763618
1-(2,6-Dimethylpiperidin-1-yl)-2,4-dioxopyrimidine-5-carbonitrile
CID 83023964
1-(4-Methylpiperazin-1-yl)-2,4-dioxopyrimidine-5-carbonitrile
CID 83024058
2,4-Dioxo-1-(2-oxo-2-piperidin-1-ylethyl)pyrimidine-5-carbonitrile
CID 112685381
2,4-Dioxo-1-(2-(piperidin-1-yl)ethyl)-1,2,3,4-tetrahydropyrimidine-5-carbonitrile
CID 113225166
1-(1-Methylpiperidin-4-yl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile
CID 113225195
2,4-Dioxo-1-(3-oxo-3-piperidin-1-ylpropyl)pyrimidine-5-carbonitrile
CID 115586931

Frequently Asked Questions

What is the IUPAC name of 2,4-dioxo-1-piperidin-1-ylpyrimidine-5-carbonitrile?
The IUPAC name of 2,4-dioxo-1-piperidin-1-ylpyrimidine-5-carbonitrile (CID 2763482) is 2,4-dioxo-1-piperidin-1-ylpyrimidine-5-carbonitrile.
What is the SMILES notation for 2,4-dioxo-1-piperidin-1-ylpyrimidine-5-carbonitrile?
The canonical SMILES for 2,4-dioxo-1-piperidin-1-ylpyrimidine-5-carbonitrile is N#Cc1cn(N2CCCCC2)c(=O)[nH]c1=O.
What is the InChIKey of 2,4-dioxo-1-piperidin-1-ylpyrimidine-5-carbonitrile?
The InChIKey is MINGVSNUGMBYHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O2/c11-6-8-7-14(10(16)12-9(8)15)13-4-2-1-3-5-13/h7H,1-5H2,(H,12,15,16).
What are the key properties of 2,4-dioxo-1-piperidin-1-ylpyrimidine-5-carbonitrile?
2,4-dioxo-1-piperidin-1-ylpyrimidine-5-carbonitrile has a molecular weight of 220.23 g/mol, XLogP of -0.47, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dioxo-1-piperidin-1-ylpyrimidine-5-carbonitrile is sourced from PubChem (CID 2763482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).