N-[2-(azepan-1-yl)pyrimidin-5-yl]-2,2-dimethylpropanamide

C15H24N4O — CID 53014766

IUPACN-[2-(azepan-1-yl)pyrimidin-5-yl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1cnc(N2CCCCCC2)nc1
InChIInChI=1S/C15H24N4O/c1-15(2,3)13(20)18-12-10-16-14(17-11-12)19-8-6-4-5-7-9-19/h10-11H,4-9H2,1-3H3,(H,18,20)
InChIKeyASZBFFOVYDNMSE-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.84
Rot. Bonds2

About N-[2-(azepan-1-yl)pyrimidin-5-yl]-2,2-dimethylpropanamide

N-[2-(azepan-1-yl)pyrimidin-5-yl]-2,2-dimethylpropanamide (PubChem CID 53014766) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is N-[2-(azepan-1-yl)pyrimidin-5-yl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[2-(azepan-1-yl)pyrimidin-5-yl]-2,2-dimethylpropanamide
PubChem CID53014766
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC NameN-[2-(azepan-1-yl)pyrimidin-5-yl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1cnc(N2CCCCCC2)nc1
InChIInChI=1S/C15H24N4O/c1-15(2,3)13(20)18-12-10-16-14(17-11-12)19-8-6-4-5-7-9-19/h10-11H,4-9H2,1-3H3,(H,18,20)
InChIKeyASZBFFOVYDNMSE-UHFFFAOYSA-N
XLogP2.84
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-(azepan-1-yl)pyrimidin-5-yl]-2,2-dimethylpropanamide 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 N-[2-(azepan-1-yl)pyrimidin-5-yl]-2,2-dimethylpropanamide?
The IUPAC name of N-[2-(azepan-1-yl)pyrimidin-5-yl]-2,2-dimethylpropanamide (CID 53014766) is N-[2-(azepan-1-yl)pyrimidin-5-yl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[2-(azepan-1-yl)pyrimidin-5-yl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[2-(azepan-1-yl)pyrimidin-5-yl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)Nc1cnc(N2CCCCCC2)nc1.
What is the InChIKey of N-[2-(azepan-1-yl)pyrimidin-5-yl]-2,2-dimethylpropanamide?
The InChIKey is ASZBFFOVYDNMSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-15(2,3)13(20)18-12-10-16-14(17-11-12)19-8-6-4-5-7-9-19/h10-11H,4-9H2,1-3H3,(H,18,20).
What are the key properties of N-[2-(azepan-1-yl)pyrimidin-5-yl]-2,2-dimethylpropanamide?
N-[2-(azepan-1-yl)pyrimidin-5-yl]-2,2-dimethylpropanamide has a molecular weight of 276.38 g/mol, XLogP of 2.84, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(azepan-1-yl)pyrimidin-5-yl]-2,2-dimethylpropanamide is sourced from PubChem (CID 53014766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).