4-[2-(azepan-1-yl)ethylamino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile

C15H23N5O2 — CID 32878162

IUPAC4-[2-(azepan-1-yl)ethylamino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile
SMILESCn1c(NCCN2CCCCCC2)c(C#N)c(=O)n(C)c1=O
InChIInChI=1S/C15H23N5O2/c1-18-13(12(11-16)14(21)19(2)15(18)22)17-7-10-20-8-5-3-4-6-9-20/h17H,3-10H2,1-2H3
InChIKeyRMPCYMALGQKEOU-UHFFFAOYSA-N
MW305.38 g/mol
LogP0.24
Rot. Bonds4

About 4-[2-(azepan-1-yl)ethylamino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile

4-[2-(azepan-1-yl)ethylamino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile (PubChem CID 32878162) has the molecular formula C15H23N5O2 and a molecular weight of 305.38 g/mol. Its IUPAC name is 4-[2-(azepan-1-yl)ethylamino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-[2-(azepan-1-yl)ethylamino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile
PubChem CID32878162
Molecular FormulaC15H23N5O2
Molecular Weight305.38 g/mol
Exact Mass305.19
IUPAC Name4-[2-(azepan-1-yl)ethylamino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile
SMILESCn1c(NCCN2CCCCCC2)c(C#N)c(=O)n(C)c1=O
InChIInChI=1S/C15H23N5O2/c1-18-13(12(11-16)14(21)19(2)15(18)22)17-7-10-20-8-5-3-4-6-9-20/h17H,3-10H2,1-2H3
InChIKeyRMPCYMALGQKEOU-UHFFFAOYSA-N
XLogP0.24
TPSA83.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-[2-(azepan-1-yl)ethylamino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[2-(azepan-1-yl)ethylamino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile?
The IUPAC name of 4-[2-(azepan-1-yl)ethylamino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile (CID 32878162) is 4-[2-(azepan-1-yl)ethylamino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile.
What is the SMILES notation for 4-[2-(azepan-1-yl)ethylamino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile?
The canonical SMILES for 4-[2-(azepan-1-yl)ethylamino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile is Cn1c(NCCN2CCCCCC2)c(C#N)c(=O)n(C)c1=O.
What is the InChIKey of 4-[2-(azepan-1-yl)ethylamino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile?
The InChIKey is RMPCYMALGQKEOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O2/c1-18-13(12(11-16)14(21)19(2)15(18)22)17-7-10-20-8-5-3-4-6-9-20/h17H,3-10H2,1-2H3.
What are the key properties of 4-[2-(azepan-1-yl)ethylamino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile?
4-[2-(azepan-1-yl)ethylamino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile has a molecular weight of 305.38 g/mol, XLogP of 0.24, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(azepan-1-yl)ethylamino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile is sourced from PubChem (CID 32878162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).