1-(2,6-dimethylpiperidin-1-yl)-2,4-dioxopyrimidine-5-carbonitrile

C12H16N4O2 — CID 83023964

IUPAC1-(2,6-dimethylpiperidin-1-yl)-2,4-dioxopyrimidine-5-carbonitrile
SMILESCC1CCCC(C)N1n1cc(C#N)c(=O)[nH]c1=O
InChIInChI=1S/C12H16N4O2/c1-8-4-3-5-9(2)16(8)15-7-10(6-13)11(17)14-12(15)18/h7-9H,3-5H2,1-2H3,(H,14,17,18)
InChIKeyMHHHDCVXVAZQJK-UHFFFAOYSA-N
MW248.29 g/mol
LogP0.31
Rot. Bonds1

About 1-(2,6-dimethylpiperidin-1-yl)-2,4-dioxopyrimidine-5-carbonitrile

1-(2,6-dimethylpiperidin-1-yl)-2,4-dioxopyrimidine-5-carbonitrile (PubChem CID 83023964) has the molecular formula C12H16N4O2 and a molecular weight of 248.29 g/mol. Its IUPAC name is 1-(2,6-dimethylpiperidin-1-yl)-2,4-dioxopyrimidine-5-carbonitrile.

Molecular Properties

Compound Name1-(2,6-dimethylpiperidin-1-yl)-2,4-dioxopyrimidine-5-carbonitrile
PubChem CID83023964
Molecular FormulaC12H16N4O2
Molecular Weight248.29 g/mol
Exact Mass248.13
IUPAC Name1-(2,6-dimethylpiperidin-1-yl)-2,4-dioxopyrimidine-5-carbonitrile
SMILESCC1CCCC(C)N1n1cc(C#N)c(=O)[nH]c1=O
InChIInChI=1S/C12H16N4O2/c1-8-4-3-5-9(2)16(8)15-7-10(6-13)11(17)14-12(15)18/h7-9H,3-5H2,1-2H3,(H,14,17,18)
InChIKeyMHHHDCVXVAZQJK-UHFFFAOYSA-N
XLogP0.31
TPSA81.89 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 50.31
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
Piperidinylthymine
CID 166175013
1-[(1-Methylpiperidin-2-yl)methyl]-2,4-dioxopyrimidine-5-carbonitrile
CID 79873759
2,4-Dioxo-1-(1-piperidin-1-ylpropan-2-yl)pyrimidine-5-carbonitrile
CID 79874000
2,4-Dioxo-1-(1-propylpiperidin-4-yl)pyrimidine-5-carbonitrile
CID 79874659
1-(1-Methylpiperidin-3-yl)-2,4-dioxopyrimidine-5-carbonitrile
CID 79876250
2,4-Dioxo-1-(2-piperidin-1-ylpropyl)pyrimidine-5-carbonitrile
CID 79876255
1-Heptan-2-yl-2,4-dioxopyrimidine-5-carbonitrile
CID 79876442
1-[5-(Diethylamino)pentan-2-yl]-2,4-dioxopyrimidine-5-carbonitrile
CID 79876624
1-(1-Ethylpiperidin-3-yl)-2,4-dioxopyrimidine-5-carbonitrile
CID 79876636
1-(1,2-Dimethylpiperidin-4-yl)-2,4-dioxopyrimidine-5-carbonitrile
CID 81629541
1-(4-Methylpiperazin-1-yl)-2,4-dioxopyrimidine-5-carbonitrile
CID 83024058

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylpiperidin-1-yl)-2,4-dioxopyrimidine-5-carbonitrile?
The IUPAC name of 1-(2,6-dimethylpiperidin-1-yl)-2,4-dioxopyrimidine-5-carbonitrile (CID 83023964) is 1-(2,6-dimethylpiperidin-1-yl)-2,4-dioxopyrimidine-5-carbonitrile.
What is the SMILES notation for 1-(2,6-dimethylpiperidin-1-yl)-2,4-dioxopyrimidine-5-carbonitrile?
The canonical SMILES for 1-(2,6-dimethylpiperidin-1-yl)-2,4-dioxopyrimidine-5-carbonitrile is CC1CCCC(C)N1n1cc(C#N)c(=O)[nH]c1=O.
What is the InChIKey of 1-(2,6-dimethylpiperidin-1-yl)-2,4-dioxopyrimidine-5-carbonitrile?
The InChIKey is MHHHDCVXVAZQJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2/c1-8-4-3-5-9(2)16(8)15-7-10(6-13)11(17)14-12(15)18/h7-9H,3-5H2,1-2H3,(H,14,17,18).
What are the key properties of 1-(2,6-dimethylpiperidin-1-yl)-2,4-dioxopyrimidine-5-carbonitrile?
1-(2,6-dimethylpiperidin-1-yl)-2,4-dioxopyrimidine-5-carbonitrile has a molecular weight of 248.29 g/mol, XLogP of 0.31, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylpiperidin-1-yl)-2,4-dioxopyrimidine-5-carbonitrile is sourced from PubChem (CID 83023964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).