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

C13H18N4O2 — CID 79874000

IUPAC2,4-dioxo-1-(1-piperidin-1-ylpropan-2-yl)pyrimidine-5-carbonitrile
SMILESCC(CN1CCCCC1)n1cc(C#N)c(=O)[nH]c1=O
InChIInChI=1S/C13H18N4O2/c1-10(8-16-5-3-2-4-6-16)17-9-11(7-14)12(18)15-13(17)19/h9-10H,2-6,8H2,1H3,(H,15,18,19)
InChIKeyTYKLAWINYKUYTR-UHFFFAOYSA-N
MW262.31 g/mol
LogP0.46
Rot. Bonds3

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

2,4-dioxo-1-(1-piperidin-1-ylpropan-2-yl)pyrimidine-5-carbonitrile (PubChem CID 79874000) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is 2,4-dioxo-1-(1-piperidin-1-ylpropan-2-yl)pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name2,4-dioxo-1-(1-piperidin-1-ylpropan-2-yl)pyrimidine-5-carbonitrile
PubChem CID79874000
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC Name2,4-dioxo-1-(1-piperidin-1-ylpropan-2-yl)pyrimidine-5-carbonitrile
SMILESCC(CN1CCCCC1)n1cc(C#N)c(=O)[nH]c1=O
InChIInChI=1S/C13H18N4O2/c1-10(8-16-5-3-2-4-6-16)17-9-11(7-14)12(18)15-13(17)19/h9-10H,2-6,8H2,1H3,(H,15,18,19)
InChIKeyTYKLAWINYKUYTR-UHFFFAOYSA-N
XLogP0.46
TPSA81.89 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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-Cyclohexyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile
CID 239271
3-cyclohexyl-2,4-dioxo-1H-pyrimidine-5-carbonitrile
CID 349883
1-[2-(3-ethylpiperazin-1-yl)-2-oxoethyl]-5-methylpyrimidine-2,4(1H,3H)-dione
CID 56705900
4-[(2S)-2-ethyl-3-oxopiperazin-1-yl]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile
CID 95973287
m-Piperidinyl thymine
CID 51050595
(E)-2-cyano-N-cyclohexyl-3-[(1,3-dimethyl-2,6-dioxo-1,3-diazinan-4-yl)methylamino]prop-2-enamide
CID 168118845
1,3-Dimethyl-4-(2-methylpiperidin-1-yl)-2,6-dioxopyrimidine-5-carbonitrile
CID 17432340
1,3-Dimethyl-2,4-dioxo-6-[(1-propan-2-ylpiperidin-4-yl)amino]pyrimidine-5-carbonitrile
CID 17558659
1,3-Dimethyl-2,4-dioxo-6-[(1-propylpiperidin-4-yl)amino]pyrimidine-5-carbonitrile
CID 17558660
4-[(1-Cyclopropylpiperidin-4-yl)amino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile
CID 17565997

Frequently Asked Questions

What is the IUPAC name of 2,4-dioxo-1-(1-piperidin-1-ylpropan-2-yl)pyrimidine-5-carbonitrile?
The IUPAC name of 2,4-dioxo-1-(1-piperidin-1-ylpropan-2-yl)pyrimidine-5-carbonitrile (CID 79874000) is 2,4-dioxo-1-(1-piperidin-1-ylpropan-2-yl)pyrimidine-5-carbonitrile.
What is the SMILES notation for 2,4-dioxo-1-(1-piperidin-1-ylpropan-2-yl)pyrimidine-5-carbonitrile?
The canonical SMILES for 2,4-dioxo-1-(1-piperidin-1-ylpropan-2-yl)pyrimidine-5-carbonitrile is CC(CN1CCCCC1)n1cc(C#N)c(=O)[nH]c1=O.
What is the InChIKey of 2,4-dioxo-1-(1-piperidin-1-ylpropan-2-yl)pyrimidine-5-carbonitrile?
The InChIKey is TYKLAWINYKUYTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c1-10(8-16-5-3-2-4-6-16)17-9-11(7-14)12(18)15-13(17)19/h9-10H,2-6,8H2,1H3,(H,15,18,19).
What are the key properties of 2,4-dioxo-1-(1-piperidin-1-ylpropan-2-yl)pyrimidine-5-carbonitrile?
2,4-dioxo-1-(1-piperidin-1-ylpropan-2-yl)pyrimidine-5-carbonitrile has a molecular weight of 262.31 g/mol, XLogP of 0.46, 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-(1-piperidin-1-ylpropan-2-yl)pyrimidine-5-carbonitrile is sourced from PubChem (CID 79874000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).