N-tert-butyl-2-[(6-chloro-5-propan-2-ylpyrimidin-4-yl)amino]acetamide

C13H21ClN4O — CID 113293277

IUPACN-tert-butyl-2-[(6-chloro-5-propan-2-ylpyrimidin-4-yl)amino]acetamide
SMILESCC(C)c1c(Cl)ncnc1NCC(=O)NC(C)(C)C
InChIInChI=1S/C13H21ClN4O/c1-8(2)10-11(14)16-7-17-12(10)15-6-9(19)18-13(3,4)5/h7-8H,6H2,1-5H3,(H,18,19)(H,15,16,17)
InChIKeyWYELJVTUHVAKBM-UHFFFAOYSA-N
MW284.79 g/mol
LogP2.58
Rot. Bonds4

About N-tert-butyl-2-[(6-chloro-5-propan-2-ylpyrimidin-4-yl)amino]acetamide

N-tert-butyl-2-[(6-chloro-5-propan-2-ylpyrimidin-4-yl)amino]acetamide (PubChem CID 113293277) has the molecular formula C13H21ClN4O and a molecular weight of 284.79 g/mol. Its IUPAC name is N-tert-butyl-2-[(6-chloro-5-propan-2-ylpyrimidin-4-yl)amino]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[(6-chloro-5-propan-2-ylpyrimidin-4-yl)amino]acetamide
PubChem CID113293277
Molecular FormulaC13H21ClN4O
Molecular Weight284.79 g/mol
Exact Mass284.14
IUPAC NameN-tert-butyl-2-[(6-chloro-5-propan-2-ylpyrimidin-4-yl)amino]acetamide
SMILESCC(C)c1c(Cl)ncnc1NCC(=O)NC(C)(C)C
InChIInChI=1S/C13H21ClN4O/c1-8(2)10-11(14)16-7-17-12(10)15-6-9(19)18-13(3,4)5/h7-8H,6H2,1-5H3,(H,18,19)(H,15,16,17)
InChIKeyWYELJVTUHVAKBM-UHFFFAOYSA-N
XLogP2.58
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.79
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-tert-butyl-2-[(6-chloro-5-propan-2-ylpyrimidin-4-yl)amino]acetamide 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-tert-butyl-2-[(6-chloro-5-propan-2-ylpyrimidin-4-yl)amino]acetamide?
The IUPAC name of N-tert-butyl-2-[(6-chloro-5-propan-2-ylpyrimidin-4-yl)amino]acetamide (CID 113293277) is N-tert-butyl-2-[(6-chloro-5-propan-2-ylpyrimidin-4-yl)amino]acetamide.
What is the SMILES notation for N-tert-butyl-2-[(6-chloro-5-propan-2-ylpyrimidin-4-yl)amino]acetamide?
The canonical SMILES for N-tert-butyl-2-[(6-chloro-5-propan-2-ylpyrimidin-4-yl)amino]acetamide is CC(C)c1c(Cl)ncnc1NCC(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-2-[(6-chloro-5-propan-2-ylpyrimidin-4-yl)amino]acetamide?
The InChIKey is WYELJVTUHVAKBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN4O/c1-8(2)10-11(14)16-7-17-12(10)15-6-9(19)18-13(3,4)5/h7-8H,6H2,1-5H3,(H,18,19)(H,15,16,17).
What are the key properties of N-tert-butyl-2-[(6-chloro-5-propan-2-ylpyrimidin-4-yl)amino]acetamide?
N-tert-butyl-2-[(6-chloro-5-propan-2-ylpyrimidin-4-yl)amino]acetamide has a molecular weight of 284.79 g/mol, XLogP of 2.58, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[(6-chloro-5-propan-2-ylpyrimidin-4-yl)amino]acetamide is sourced from PubChem (CID 113293277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).