1-(1-methylpiperidin-3-yl)-2,4-dioxopyrimidine-5-carbonitrile

C11H14N4O2 — CID 79876250

IUPAC1-(1-methylpiperidin-3-yl)-2,4-dioxopyrimidine-5-carbonitrile
SMILESCN1CCCC(n2cc(C#N)c(=O)[nH]c2=O)C1
InChIInChI=1S/C11H14N4O2/c1-14-4-2-3-9(7-14)15-6-8(5-12)10(16)13-11(15)17/h6,9H,2-4,7H2,1H3,(H,13,16,17)
InChIKeyYFGNFZLKXZASGD-UHFFFAOYSA-N
MW234.26 g/mol
LogP-0.33
Rot. Bonds1

About 1-(1-methylpiperidin-3-yl)-2,4-dioxopyrimidine-5-carbonitrile

1-(1-methylpiperidin-3-yl)-2,4-dioxopyrimidine-5-carbonitrile (PubChem CID 79876250) has the molecular formula C11H14N4O2 and a molecular weight of 234.26 g/mol. Its IUPAC name is 1-(1-methylpiperidin-3-yl)-2,4-dioxopyrimidine-5-carbonitrile.

Molecular Properties

Compound Name1-(1-methylpiperidin-3-yl)-2,4-dioxopyrimidine-5-carbonitrile
PubChem CID79876250
Molecular FormulaC11H14N4O2
Molecular Weight234.26 g/mol
Exact Mass234.11
IUPAC Name1-(1-methylpiperidin-3-yl)-2,4-dioxopyrimidine-5-carbonitrile
SMILESCN1CCCC(n2cc(C#N)c(=O)[nH]c2=O)C1
InChIInChI=1S/C11H14N4O2/c1-14-4-2-3-9(7-14)15-6-8(5-12)10(16)13-11(15)17/h6,9H,2-4,7H2,1H3,(H,13,16,17)
InChIKeyYFGNFZLKXZASGD-UHFFFAOYSA-N
XLogP-0.33
TPSA81.89 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 5-0.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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
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
4-[(2S)-2-ethyl-3-oxopiperazin-1-yl]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile
CID 95973287
m-Piperidinyl thymine
CID 51050595
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
1-(Sec-butyl)-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinecarbonitrile
CID 12261434
2,4-dioxo-3-propan-2-yl-1H-pyrimidine-5-carbonitrile
CID 154163390
(E)-2-cyano-N-cyclohexyl-3-[(1,3-dimethyl-2,6-dioxo-1,3-diazinan-4-yl)methylamino]prop-2-enamide
CID 168118845
3-Cyclohexyl-1-methyl-2,4-dioxopyrimidine-5-carbonitrile
CID 13320962

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpiperidin-3-yl)-2,4-dioxopyrimidine-5-carbonitrile?
The IUPAC name of 1-(1-methylpiperidin-3-yl)-2,4-dioxopyrimidine-5-carbonitrile (CID 79876250) is 1-(1-methylpiperidin-3-yl)-2,4-dioxopyrimidine-5-carbonitrile.
What is the SMILES notation for 1-(1-methylpiperidin-3-yl)-2,4-dioxopyrimidine-5-carbonitrile?
The canonical SMILES for 1-(1-methylpiperidin-3-yl)-2,4-dioxopyrimidine-5-carbonitrile is CN1CCCC(n2cc(C#N)c(=O)[nH]c2=O)C1.
What is the InChIKey of 1-(1-methylpiperidin-3-yl)-2,4-dioxopyrimidine-5-carbonitrile?
The InChIKey is YFGNFZLKXZASGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2/c1-14-4-2-3-9(7-14)15-6-8(5-12)10(16)13-11(15)17/h6,9H,2-4,7H2,1H3,(H,13,16,17).
What are the key properties of 1-(1-methylpiperidin-3-yl)-2,4-dioxopyrimidine-5-carbonitrile?
1-(1-methylpiperidin-3-yl)-2,4-dioxopyrimidine-5-carbonitrile has a molecular weight of 234.26 g/mol, XLogP of -0.33, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpiperidin-3-yl)-2,4-dioxopyrimidine-5-carbonitrile is sourced from PubChem (CID 79876250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).