1,3-dimethyl-4-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]-2,6-dioxopyrimidine-5-carbonitrile

C14H19N5O3 — CID 24587817

IUPAC1,3-dimethyl-4-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]-2,6-dioxopyrimidine-5-carbonitrile
SMILESCN(CC(=O)N1CCCC1)c1c(C#N)c(=O)n(C)c(=O)n1C
InChIInChI=1S/C14H19N5O3/c1-16(9-11(20)19-6-4-5-7-19)12-10(8-15)13(21)18(3)14(22)17(12)2/h4-7,9H2,1-3H3
InChIKeyHBTSTCHYHZXGKN-UHFFFAOYSA-N
MW305.34 g/mol
LogP-0.99
Rot. Bonds3

About 1,3-dimethyl-4-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]-2,6-dioxopyrimidine-5-carbonitrile

1,3-dimethyl-4-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]-2,6-dioxopyrimidine-5-carbonitrile (PubChem CID 24587817) has the molecular formula C14H19N5O3 and a molecular weight of 305.34 g/mol. Its IUPAC name is 1,3-dimethyl-4-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]-2,6-dioxopyrimidine-5-carbonitrile.

Molecular Properties

Compound Name1,3-dimethyl-4-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]-2,6-dioxopyrimidine-5-carbonitrile
PubChem CID24587817
Molecular FormulaC14H19N5O3
Molecular Weight305.34 g/mol
Exact Mass305.15
IUPAC Name1,3-dimethyl-4-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]-2,6-dioxopyrimidine-5-carbonitrile
SMILESCN(CC(=O)N1CCCC1)c1c(C#N)c(=O)n(C)c(=O)n1C
InChIInChI=1S/C14H19N5O3/c1-16(9-11(20)19-6-4-5-7-19)12-10(8-15)13(21)18(3)14(22)17(12)2/h4-7,9H2,1-3H3
InChIKeyHBTSTCHYHZXGKN-UHFFFAOYSA-N
XLogP-0.99
TPSA91.34 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 5-0.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-4-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]-2,6-dioxopyrimidine-5-carbonitrile?
The IUPAC name of 1,3-dimethyl-4-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]-2,6-dioxopyrimidine-5-carbonitrile (CID 24587817) is 1,3-dimethyl-4-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]-2,6-dioxopyrimidine-5-carbonitrile.
What is the SMILES notation for 1,3-dimethyl-4-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]-2,6-dioxopyrimidine-5-carbonitrile?
The canonical SMILES for 1,3-dimethyl-4-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]-2,6-dioxopyrimidine-5-carbonitrile is CN(CC(=O)N1CCCC1)c1c(C#N)c(=O)n(C)c(=O)n1C.
What is the InChIKey of 1,3-dimethyl-4-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]-2,6-dioxopyrimidine-5-carbonitrile?
The InChIKey is HBTSTCHYHZXGKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O3/c1-16(9-11(20)19-6-4-5-7-19)12-10(8-15)13(21)18(3)14(22)17(12)2/h4-7,9H2,1-3H3.
What are the key properties of 1,3-dimethyl-4-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]-2,6-dioxopyrimidine-5-carbonitrile?
1,3-dimethyl-4-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]-2,6-dioxopyrimidine-5-carbonitrile has a molecular weight of 305.34 g/mol, XLogP of -0.99, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-4-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]-2,6-dioxopyrimidine-5-carbonitrile is sourced from PubChem (CID 24587817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).