1,3-dimethyl-2,4-dioxo-6-[(2-oxo-2-piperidin-1-ylethyl)amino]pyrimidine-5-carbonitrile

C14H19N5O3 — CID 56796800

IUPAC1,3-dimethyl-2,4-dioxo-6-[(2-oxo-2-piperidin-1-ylethyl)amino]pyrimidine-5-carbonitrile
SMILESCn1c(NCC(=O)N2CCCCC2)c(C#N)c(=O)n(C)c1=O
InChIInChI=1S/C14H19N5O3/c1-17-12(10(8-15)13(21)18(2)14(17)22)16-9-11(20)19-6-4-3-5-7-19/h16H,3-7,9H2,1-2H3
InChIKeyRKALTKXGCGGDIB-UHFFFAOYSA-N
MW305.34 g/mol
LogP-0.62
Rot. Bonds3

About 1,3-dimethyl-2,4-dioxo-6-[(2-oxo-2-piperidin-1-ylethyl)amino]pyrimidine-5-carbonitrile

1,3-dimethyl-2,4-dioxo-6-[(2-oxo-2-piperidin-1-ylethyl)amino]pyrimidine-5-carbonitrile (PubChem CID 56796800) has the molecular formula C14H19N5O3 and a molecular weight of 305.34 g/mol. Its IUPAC name is 1,3-dimethyl-2,4-dioxo-6-[(2-oxo-2-piperidin-1-ylethyl)amino]pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name1,3-dimethyl-2,4-dioxo-6-[(2-oxo-2-piperidin-1-ylethyl)amino]pyrimidine-5-carbonitrile
PubChem CID56796800
Molecular FormulaC14H19N5O3
Molecular Weight305.34 g/mol
Exact Mass305.15
IUPAC Name1,3-dimethyl-2,4-dioxo-6-[(2-oxo-2-piperidin-1-ylethyl)amino]pyrimidine-5-carbonitrile
SMILESCn1c(NCC(=O)N2CCCCC2)c(C#N)c(=O)n(C)c1=O
InChIInChI=1S/C14H19N5O3/c1-17-12(10(8-15)13(21)18(2)14(17)22)16-9-11(20)19-6-4-3-5-7-19/h16H,3-7,9H2,1-2H3
InChIKeyRKALTKXGCGGDIB-UHFFFAOYSA-N
XLogP-0.62
TPSA100.13 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 5-0.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-2,4-dioxo-6-[(2-oxo-2-piperidin-1-ylethyl)amino]pyrimidine-5-carbonitrile?
The IUPAC name of 1,3-dimethyl-2,4-dioxo-6-[(2-oxo-2-piperidin-1-ylethyl)amino]pyrimidine-5-carbonitrile (CID 56796800) is 1,3-dimethyl-2,4-dioxo-6-[(2-oxo-2-piperidin-1-ylethyl)amino]pyrimidine-5-carbonitrile.
What is the SMILES notation for 1,3-dimethyl-2,4-dioxo-6-[(2-oxo-2-piperidin-1-ylethyl)amino]pyrimidine-5-carbonitrile?
The canonical SMILES for 1,3-dimethyl-2,4-dioxo-6-[(2-oxo-2-piperidin-1-ylethyl)amino]pyrimidine-5-carbonitrile is Cn1c(NCC(=O)N2CCCCC2)c(C#N)c(=O)n(C)c1=O.
What is the InChIKey of 1,3-dimethyl-2,4-dioxo-6-[(2-oxo-2-piperidin-1-ylethyl)amino]pyrimidine-5-carbonitrile?
The InChIKey is RKALTKXGCGGDIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O3/c1-17-12(10(8-15)13(21)18(2)14(17)22)16-9-11(20)19-6-4-3-5-7-19/h16H,3-7,9H2,1-2H3.
What are the key properties of 1,3-dimethyl-2,4-dioxo-6-[(2-oxo-2-piperidin-1-ylethyl)amino]pyrimidine-5-carbonitrile?
1,3-dimethyl-2,4-dioxo-6-[(2-oxo-2-piperidin-1-ylethyl)amino]pyrimidine-5-carbonitrile has a molecular weight of 305.34 g/mol, XLogP of -0.62, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-2,4-dioxo-6-[(2-oxo-2-piperidin-1-ylethyl)amino]pyrimidine-5-carbonitrile is sourced from PubChem (CID 56796800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).