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

C13H18N4O2 — CID 79876255

IUPAC2,4-dioxo-1-(2-piperidin-1-ylpropyl)pyrimidine-5-carbonitrile
SMILESCC(Cn1cc(C#N)c(=O)[nH]c1=O)N1CCCCC1
InChIInChI=1S/C13H18N4O2/c1-10(16-5-3-2-4-6-16)8-17-9-11(7-14)12(18)15-13(17)19/h9-10H,2-6,8H2,1H3,(H,15,18,19)
InChIKeyGHHUTTNGGOUJDG-UHFFFAOYSA-N
MW262.31 g/mol
LogP0.28
Rot. Bonds3

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

2,4-dioxo-1-(2-piperidin-1-ylpropyl)pyrimidine-5-carbonitrile (PubChem CID 79876255) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is 2,4-dioxo-1-(2-piperidin-1-ylpropyl)pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name2,4-dioxo-1-(2-piperidin-1-ylpropyl)pyrimidine-5-carbonitrile
PubChem CID79876255
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC Name2,4-dioxo-1-(2-piperidin-1-ylpropyl)pyrimidine-5-carbonitrile
SMILESCC(Cn1cc(C#N)c(=O)[nH]c1=O)N1CCCCC1
InChIInChI=1S/C13H18N4O2/c1-10(16-5-3-2-4-6-16)8-17-9-11(7-14)12(18)15-13(17)19/h9-10H,2-6,8H2,1H3,(H,15,18,19)
InChIKeyGHHUTTNGGOUJDG-UHFFFAOYSA-N
XLogP0.28
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 ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,4-dioxo-1-(2-piperidin-1-ylpropyl)pyrimidine-5-carbonitrile?
The IUPAC name of 2,4-dioxo-1-(2-piperidin-1-ylpropyl)pyrimidine-5-carbonitrile (CID 79876255) is 2,4-dioxo-1-(2-piperidin-1-ylpropyl)pyrimidine-5-carbonitrile.
What is the SMILES notation for 2,4-dioxo-1-(2-piperidin-1-ylpropyl)pyrimidine-5-carbonitrile?
The canonical SMILES for 2,4-dioxo-1-(2-piperidin-1-ylpropyl)pyrimidine-5-carbonitrile is CC(Cn1cc(C#N)c(=O)[nH]c1=O)N1CCCCC1.
What is the InChIKey of 2,4-dioxo-1-(2-piperidin-1-ylpropyl)pyrimidine-5-carbonitrile?
The InChIKey is GHHUTTNGGOUJDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c1-10(16-5-3-2-4-6-16)8-17-9-11(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-(2-piperidin-1-ylpropyl)pyrimidine-5-carbonitrile?
2,4-dioxo-1-(2-piperidin-1-ylpropyl)pyrimidine-5-carbonitrile has a molecular weight of 262.31 g/mol, XLogP of 0.28, 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-ylpropyl)pyrimidine-5-carbonitrile is sourced from PubChem (CID 79876255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).