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

C13H18N4O2 — CID 79874659

IUPAC2,4-dioxo-1-(1-propylpiperidin-4-yl)pyrimidine-5-carbonitrile
SMILESCCCN1CCC(n2cc(C#N)c(=O)[nH]c2=O)CC1
InChIInChI=1S/C13H18N4O2/c1-2-5-16-6-3-11(4-7-16)17-9-10(8-14)12(18)15-13(17)19/h9,11H,2-7H2,1H3,(H,15,18,19)
InChIKeyYUDVJUCNGYZGHD-UHFFFAOYSA-N
MW262.31 g/mol
LogP0.46
Rot. Bonds3

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

2,4-dioxo-1-(1-propylpiperidin-4-yl)pyrimidine-5-carbonitrile (PubChem CID 79874659) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is 2,4-dioxo-1-(1-propylpiperidin-4-yl)pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name2,4-dioxo-1-(1-propylpiperidin-4-yl)pyrimidine-5-carbonitrile
PubChem CID79874659
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC Name2,4-dioxo-1-(1-propylpiperidin-4-yl)pyrimidine-5-carbonitrile
SMILESCCCN1CCC(n2cc(C#N)c(=O)[nH]c2=O)CC1
InChIInChI=1S/C13H18N4O2/c1-2-5-16-6-3-11(4-7-16)17-9-10(8-14)12(18)15-13(17)19/h9,11H,2-7H2,1H3,(H,15,18,19)
InChIKeyYUDVJUCNGYZGHD-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

5-cyano-N-hexyl-2,4-dioxo-pyrimidine-1-carboxamide
CID 71654963
1-Cyclohexyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile
CID 239271
1-Isopropyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile
CID 2779165
3-cyclohexyl-2,4-dioxo-1H-pyrimidine-5-carbonitrile
CID 349883
N-[(2,4-dioxo-1-propan-2-ylpyrimidin-5-yl)methyl]-4,4-difluoropiperidine-1-carboxamide
CID 139018234
1-Hexyl-2,4-dioxopyrimidine-5-carbonitrile
CID 1815363
1-[3-[3-(5-Cyano-2,4-dioxopyrimidin-1-yl)propyl-methylamino]propyl]-2,4-dioxopyrimidine-5-carbonitrile
CID 3676738
1-{3-[(3-Aminopropyl)(methyl)amino]propyl}-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinecarbonitrile
CID 57339167
6-[(1-Cyclopropanecarbonylpiperidin-4-yl)amino]-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile
CID 45806968
1-(Sec-butyl)-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinecarbonitrile
CID 12261434
5-cyano-N-hexyl-2,4-dioxopyrimidine-1-carboxamide;molecular hydrogen
CID 145675851
2,4-dioxo-3-propan-2-yl-1H-pyrimidine-5-carbonitrile
CID 154163390

Frequently Asked Questions

What is the IUPAC name of 2,4-dioxo-1-(1-propylpiperidin-4-yl)pyrimidine-5-carbonitrile?
The IUPAC name of 2,4-dioxo-1-(1-propylpiperidin-4-yl)pyrimidine-5-carbonitrile (CID 79874659) is 2,4-dioxo-1-(1-propylpiperidin-4-yl)pyrimidine-5-carbonitrile.
What is the SMILES notation for 2,4-dioxo-1-(1-propylpiperidin-4-yl)pyrimidine-5-carbonitrile?
The canonical SMILES for 2,4-dioxo-1-(1-propylpiperidin-4-yl)pyrimidine-5-carbonitrile is CCCN1CCC(n2cc(C#N)c(=O)[nH]c2=O)CC1.
What is the InChIKey of 2,4-dioxo-1-(1-propylpiperidin-4-yl)pyrimidine-5-carbonitrile?
The InChIKey is YUDVJUCNGYZGHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c1-2-5-16-6-3-11(4-7-16)17-9-10(8-14)12(18)15-13(17)19/h9,11H,2-7H2,1H3,(H,15,18,19).
What are the key properties of 2,4-dioxo-1-(1-propylpiperidin-4-yl)pyrimidine-5-carbonitrile?
2,4-dioxo-1-(1-propylpiperidin-4-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-propylpiperidin-4-yl)pyrimidine-5-carbonitrile is sourced from PubChem (CID 79874659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).