N-tert-butyl-2-[(4,6-dimethylpyrimidin-2-yl)-methylamino]acetamide

C13H22N4O — CID 31536602

IUPACN-tert-butyl-2-[(4,6-dimethylpyrimidin-2-yl)-methylamino]acetamide
SMILESCc1cc(C)nc(N(C)CC(=O)NC(C)(C)C)n1
InChIInChI=1S/C13H22N4O/c1-9-7-10(2)15-12(14-9)17(6)8-11(18)16-13(3,4)5/h7H,8H2,1-6H3,(H,16,18)
InChIKeySOAFKGNKUVXOSX-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.44
Rot. Bonds3

About N-tert-butyl-2-[(4,6-dimethylpyrimidin-2-yl)-methylamino]acetamide

N-tert-butyl-2-[(4,6-dimethylpyrimidin-2-yl)-methylamino]acetamide (PubChem CID 31536602) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is N-tert-butyl-2-[(4,6-dimethylpyrimidin-2-yl)-methylamino]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[(4,6-dimethylpyrimidin-2-yl)-methylamino]acetamide
PubChem CID31536602
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC NameN-tert-butyl-2-[(4,6-dimethylpyrimidin-2-yl)-methylamino]acetamide
SMILESCc1cc(C)nc(N(C)CC(=O)NC(C)(C)C)n1
InChIInChI=1S/C13H22N4O/c1-9-7-10(2)15-12(14-9)17(6)8-11(18)16-13(3,4)5/h7H,8H2,1-6H3,(H,16,18)
InChIKeySOAFKGNKUVXOSX-UHFFFAOYSA-N
XLogP1.44
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[(4,6-dimethylpyrimidin-2-yl)-methylamino]acetamide?
The IUPAC name of N-tert-butyl-2-[(4,6-dimethylpyrimidin-2-yl)-methylamino]acetamide (CID 31536602) is N-tert-butyl-2-[(4,6-dimethylpyrimidin-2-yl)-methylamino]acetamide.
What is the SMILES notation for N-tert-butyl-2-[(4,6-dimethylpyrimidin-2-yl)-methylamino]acetamide?
The canonical SMILES for N-tert-butyl-2-[(4,6-dimethylpyrimidin-2-yl)-methylamino]acetamide is Cc1cc(C)nc(N(C)CC(=O)NC(C)(C)C)n1.
What is the InChIKey of N-tert-butyl-2-[(4,6-dimethylpyrimidin-2-yl)-methylamino]acetamide?
The InChIKey is SOAFKGNKUVXOSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-9-7-10(2)15-12(14-9)17(6)8-11(18)16-13(3,4)5/h7H,8H2,1-6H3,(H,16,18).
What are the key properties of N-tert-butyl-2-[(4,6-dimethylpyrimidin-2-yl)-methylamino]acetamide?
N-tert-butyl-2-[(4,6-dimethylpyrimidin-2-yl)-methylamino]acetamide has a molecular weight of 250.35 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[(4,6-dimethylpyrimidin-2-yl)-methylamino]acetamide is sourced from PubChem (CID 31536602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).