4-(3,5-dimethylpiperidin-1-yl)-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile

C14H20N4O2 — CID 17408555

IUPAC4-(3,5-dimethylpiperidin-1-yl)-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile
SMILESCC1CC(C)CN(c2c(C#N)c(=O)n(C)c(=O)n2C)C1
InChIInChI=1S/C14H20N4O2/c1-9-5-10(2)8-18(7-9)12-11(6-15)13(19)17(4)14(20)16(12)3/h9-10H,5,7-8H2,1-4H3
InChIKeyGFMPVHGQZPUQJO-UHFFFAOYSA-N
MW276.34 g/mol
LogP0.44
Rot. Bonds1

About 4-(3,5-dimethylpiperidin-1-yl)-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile

4-(3,5-dimethylpiperidin-1-yl)-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile (PubChem CID 17408555) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is 4-(3,5-dimethylpiperidin-1-yl)-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-(3,5-dimethylpiperidin-1-yl)-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile
PubChem CID17408555
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC Name4-(3,5-dimethylpiperidin-1-yl)-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile
SMILESCC1CC(C)CN(c2c(C#N)c(=O)n(C)c(=O)n2C)C1
InChIInChI=1S/C14H20N4O2/c1-9-5-10(2)8-18(7-9)12-11(6-15)13(19)17(4)14(20)16(12)3/h9-10H,5,7-8H2,1-4H3
InChIKeyGFMPVHGQZPUQJO-UHFFFAOYSA-N
XLogP0.44
TPSA71.03 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 50.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylpiperidin-1-yl)-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile?
The IUPAC name of 4-(3,5-dimethylpiperidin-1-yl)-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile (CID 17408555) is 4-(3,5-dimethylpiperidin-1-yl)-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile.
What is the SMILES notation for 4-(3,5-dimethylpiperidin-1-yl)-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile?
The canonical SMILES for 4-(3,5-dimethylpiperidin-1-yl)-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile is CC1CC(C)CN(c2c(C#N)c(=O)n(C)c(=O)n2C)C1.
What is the InChIKey of 4-(3,5-dimethylpiperidin-1-yl)-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile?
The InChIKey is GFMPVHGQZPUQJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2/c1-9-5-10(2)8-18(7-9)12-11(6-15)13(19)17(4)14(20)16(12)3/h9-10H,5,7-8H2,1-4H3.
What are the key properties of 4-(3,5-dimethylpiperidin-1-yl)-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile?
4-(3,5-dimethylpiperidin-1-yl)-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile has a molecular weight of 276.34 g/mol, XLogP of 0.44, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethylpiperidin-1-yl)-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile is sourced from PubChem (CID 17408555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).