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

C13H18N4O2 — CID 17450913

IUPAC1,3-dimethyl-4-(4-methylpiperidin-1-yl)-2,6-dioxopyrimidine-5-carbonitrile
SMILESCC1CCN(c2c(C#N)c(=O)n(C)c(=O)n2C)CC1
InChIInChI=1S/C13H18N4O2/c1-9-4-6-17(7-5-9)11-10(8-14)12(18)16(3)13(19)15(11)2/h9H,4-7H2,1-3H3
InChIKeyAAKNNGIKCRYWFM-UHFFFAOYSA-N
MW262.31 g/mol
LogP0.19
Rot. Bonds1

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

1,3-dimethyl-4-(4-methylpiperidin-1-yl)-2,6-dioxopyrimidine-5-carbonitrile (PubChem CID 17450913) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is 1,3-dimethyl-4-(4-methylpiperidin-1-yl)-2,6-dioxopyrimidine-5-carbonitrile.

Molecular Properties

Compound Name1,3-dimethyl-4-(4-methylpiperidin-1-yl)-2,6-dioxopyrimidine-5-carbonitrile
PubChem CID17450913
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC Name1,3-dimethyl-4-(4-methylpiperidin-1-yl)-2,6-dioxopyrimidine-5-carbonitrile
SMILESCC1CCN(c2c(C#N)c(=O)n(C)c(=O)n2C)CC1
InChIInChI=1S/C13H18N4O2/c1-9-4-6-17(7-5-9)11-10(8-14)12(18)16(3)13(19)15(11)2/h9H,4-7H2,1-3H3
InChIKeyAAKNNGIKCRYWFM-UHFFFAOYSA-N
XLogP0.19
TPSA71.03 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 50.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-4-(4-methylpiperidin-1-yl)-2,6-dioxopyrimidine-5-carbonitrile?
The IUPAC name of 1,3-dimethyl-4-(4-methylpiperidin-1-yl)-2,6-dioxopyrimidine-5-carbonitrile (CID 17450913) is 1,3-dimethyl-4-(4-methylpiperidin-1-yl)-2,6-dioxopyrimidine-5-carbonitrile.
What is the SMILES notation for 1,3-dimethyl-4-(4-methylpiperidin-1-yl)-2,6-dioxopyrimidine-5-carbonitrile?
The canonical SMILES for 1,3-dimethyl-4-(4-methylpiperidin-1-yl)-2,6-dioxopyrimidine-5-carbonitrile is CC1CCN(c2c(C#N)c(=O)n(C)c(=O)n2C)CC1.
What is the InChIKey of 1,3-dimethyl-4-(4-methylpiperidin-1-yl)-2,6-dioxopyrimidine-5-carbonitrile?
The InChIKey is AAKNNGIKCRYWFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c1-9-4-6-17(7-5-9)11-10(8-14)12(18)16(3)13(19)15(11)2/h9H,4-7H2,1-3H3.
What are the key properties of 1,3-dimethyl-4-(4-methylpiperidin-1-yl)-2,6-dioxopyrimidine-5-carbonitrile?
1,3-dimethyl-4-(4-methylpiperidin-1-yl)-2,6-dioxopyrimidine-5-carbonitrile has a molecular weight of 262.31 g/mol, XLogP of 0.19, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-4-(4-methylpiperidin-1-yl)-2,6-dioxopyrimidine-5-carbonitrile is sourced from PubChem (CID 17450913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).