2,4-dioxo-1-(2-piperidin-1-ylethyl)pyrimidine-5-carbonitrile

C12H16N4O2 — CID 113225166

IUPAC2,4-dioxo-1-(2-piperidin-1-ylethyl)pyrimidine-5-carbonitrile
SMILESN#Cc1cn(CCN2CCCCC2)c(=O)[nH]c1=O
InChIInChI=1S/C12H16N4O2/c13-8-10-9-16(12(18)14-11(10)17)7-6-15-4-2-1-3-5-15/h9H,1-7H2,(H,14,17,18)
InChIKeyUNURVFIHGRAFRF-UHFFFAOYSA-N
MW248.29 g/mol
LogP-0.11
Rot. Bonds3

About 2,4-dioxo-1-(2-piperidin-1-ylethyl)pyrimidine-5-carbonitrile

2,4-dioxo-1-(2-piperidin-1-ylethyl)pyrimidine-5-carbonitrile (PubChem CID 113225166) has the molecular formula C12H16N4O2 and a molecular weight of 248.29 g/mol. Its IUPAC name is 2,4-dioxo-1-(2-piperidin-1-ylethyl)pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name2,4-dioxo-1-(2-piperidin-1-ylethyl)pyrimidine-5-carbonitrile
PubChem CID113225166
Molecular FormulaC12H16N4O2
Molecular Weight248.29 g/mol
Exact Mass248.13
IUPAC Name2,4-dioxo-1-(2-piperidin-1-ylethyl)pyrimidine-5-carbonitrile
SMILESN#Cc1cn(CCN2CCCCC2)c(=O)[nH]c1=O
InChIInChI=1S/C12H16N4O2/c13-8-10-9-16(12(18)14-11(10)17)7-6-15-4-2-1-3-5-15/h9H,1-7H2,(H,14,17,18)
InChIKeyUNURVFIHGRAFRF-UHFFFAOYSA-N
XLogP-0.11
TPSA81.89 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,4-Dioxo-1-piperidino-1,2,3,4-tetrahydro-5-pyrimidinecarbonitrile
CID 2763482
5-cyano-N-hexyl-2,4-dioxo-pyrimidine-1-carboxamide
CID 71654963
1-[3-[4-[3-(5-Cyano-2,4-dioxopyrimidin-1-yl)propyl]piperazin-1-yl]propyl]-2,4-dioxopyrimidine-5-carbonitrile
CID 1815303
1,3-Dimethyl-2,4-dioxo-6-[(2-oxo-2-piperidin-1-ylethyl)amino]pyrimidine-5-carbonitrile
CID 56796800
1-(2-(5-cyano-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile
CID 1815358
1-Hexyl-2,4-dioxopyrimidine-5-carbonitrile
CID 1815363
5-cyano-N-hexyl-2,4-dioxopyrimidine-1-carboxamide;molecular hydrogen
CID 145675851
1-[3-[4-[3-(5-Cyano-2,4-dioxopyrimidin-1-yl)propyl]piperazine-1,4-diium-1-yl]propyl]-2,4-dioxopyrimidine-5-carbonitrile
CID 1815302
1-[12-(5-Cyano-2,4-dioxopyrimidin-1-yl)dodecyl]-2,4-dioxopyrimidine-5-carbonitrile
CID 3694621
1-(10-(5-cyano-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)decyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile
CID 14814352
3-[2-(3,5-Dimethylpiperidin-1-yl)-2-oxoethyl]-1-ethyl-2,4-dioxopyrimidine-5-carbonitrile
CID 18131806
1-Ethyl-3-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-2,4-dioxopyrimidine-5-carbonitrile
CID 18140225

Frequently Asked Questions

What is the IUPAC name of 2,4-dioxo-1-(2-piperidin-1-ylethyl)pyrimidine-5-carbonitrile?
The IUPAC name of 2,4-dioxo-1-(2-piperidin-1-ylethyl)pyrimidine-5-carbonitrile (CID 113225166) is 2,4-dioxo-1-(2-piperidin-1-ylethyl)pyrimidine-5-carbonitrile.
What is the SMILES notation for 2,4-dioxo-1-(2-piperidin-1-ylethyl)pyrimidine-5-carbonitrile?
The canonical SMILES for 2,4-dioxo-1-(2-piperidin-1-ylethyl)pyrimidine-5-carbonitrile is N#Cc1cn(CCN2CCCCC2)c(=O)[nH]c1=O.
What is the InChIKey of 2,4-dioxo-1-(2-piperidin-1-ylethyl)pyrimidine-5-carbonitrile?
The InChIKey is UNURVFIHGRAFRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2/c13-8-10-9-16(12(18)14-11(10)17)7-6-15-4-2-1-3-5-15/h9H,1-7H2,(H,14,17,18).
What are the key properties of 2,4-dioxo-1-(2-piperidin-1-ylethyl)pyrimidine-5-carbonitrile?
2,4-dioxo-1-(2-piperidin-1-ylethyl)pyrimidine-5-carbonitrile has a molecular weight of 248.29 g/mol, XLogP of -0.11, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dioxo-1-(2-piperidin-1-ylethyl)pyrimidine-5-carbonitrile is sourced from PubChem (CID 113225166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).