2-[(2-amino-6-chloropyrimidin-4-yl)-methylamino]-N-tert-butylacetamide

C11H18ClN5O — CID 31537862

IUPAC2-[(2-amino-6-chloropyrimidin-4-yl)-methylamino]-N-tert-butylacetamide
SMILESCN(CC(=O)NC(C)(C)C)c1cc(Cl)nc(N)n1
InChIInChI=1S/C11H18ClN5O/c1-11(2,3)16-9(18)6-17(4)8-5-7(12)14-10(13)15-8/h5H,6H2,1-4H3,(H,16,18)(H2,13,14,15)
InChIKeyYJTANCDNGKZCBL-UHFFFAOYSA-N
MW271.75 g/mol
LogP1.06
Rot. Bonds3

About 2-[(2-amino-6-chloropyrimidin-4-yl)-methylamino]-N-tert-butylacetamide

2-[(2-amino-6-chloropyrimidin-4-yl)-methylamino]-N-tert-butylacetamide (PubChem CID 31537862) has the molecular formula C11H18ClN5O and a molecular weight of 271.75 g/mol. Its IUPAC name is 2-[(2-amino-6-chloropyrimidin-4-yl)-methylamino]-N-tert-butylacetamide.

Molecular Properties

Compound Name2-[(2-amino-6-chloropyrimidin-4-yl)-methylamino]-N-tert-butylacetamide
PubChem CID31537862
Molecular FormulaC11H18ClN5O
Molecular Weight271.75 g/mol
Exact Mass271.12
IUPAC Name2-[(2-amino-6-chloropyrimidin-4-yl)-methylamino]-N-tert-butylacetamide
SMILESCN(CC(=O)NC(C)(C)C)c1cc(Cl)nc(N)n1
InChIInChI=1S/C11H18ClN5O/c1-11(2,3)16-9(18)6-17(4)8-5-7(12)14-10(13)15-8/h5H,6H2,1-4H3,(H,16,18)(H2,13,14,15)
InChIKeyYJTANCDNGKZCBL-UHFFFAOYSA-N
XLogP1.06
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.75
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[(2-amino-6-chloropyrimidin-4-yl)-methylamino]-N-tert-butylacetamide 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 2-[(2-amino-6-chloropyrimidin-4-yl)-methylamino]-N-tert-butylacetamide?
The IUPAC name of 2-[(2-amino-6-chloropyrimidin-4-yl)-methylamino]-N-tert-butylacetamide (CID 31537862) is 2-[(2-amino-6-chloropyrimidin-4-yl)-methylamino]-N-tert-butylacetamide.
What is the SMILES notation for 2-[(2-amino-6-chloropyrimidin-4-yl)-methylamino]-N-tert-butylacetamide?
The canonical SMILES for 2-[(2-amino-6-chloropyrimidin-4-yl)-methylamino]-N-tert-butylacetamide is CN(CC(=O)NC(C)(C)C)c1cc(Cl)nc(N)n1.
What is the InChIKey of 2-[(2-amino-6-chloropyrimidin-4-yl)-methylamino]-N-tert-butylacetamide?
The InChIKey is YJTANCDNGKZCBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN5O/c1-11(2,3)16-9(18)6-17(4)8-5-7(12)14-10(13)15-8/h5H,6H2,1-4H3,(H,16,18)(H2,13,14,15).
What are the key properties of 2-[(2-amino-6-chloropyrimidin-4-yl)-methylamino]-N-tert-butylacetamide?
2-[(2-amino-6-chloropyrimidin-4-yl)-methylamino]-N-tert-butylacetamide has a molecular weight of 271.75 g/mol, XLogP of 1.06, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-6-chloropyrimidin-4-yl)-methylamino]-N-tert-butylacetamide is sourced from PubChem (CID 31537862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).