2-[butyl-(2-ethyl-6-methylpyrimidin-4-yl)amino]acetamide

C13H22N4O — CID 100760258

IUPAC2-[butyl-(2-ethyl-6-methylpyrimidin-4-yl)amino]acetamide
SMILESCCCCN(CC(N)=O)c1cc(C)nc(CC)n1
InChIInChI=1S/C13H22N4O/c1-4-6-7-17(9-11(14)18)13-8-10(3)15-12(5-2)16-13/h8H,4-7,9H2,1-3H3,(H2,14,18)
InChIKeyAMUSLRGASRUANR-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.44
Rot. Bonds7

About 2-[butyl-(2-ethyl-6-methylpyrimidin-4-yl)amino]acetamide

2-[butyl-(2-ethyl-6-methylpyrimidin-4-yl)amino]acetamide (PubChem CID 100760258) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 2-[butyl-(2-ethyl-6-methylpyrimidin-4-yl)amino]acetamide.

Molecular Properties

Compound Name2-[butyl-(2-ethyl-6-methylpyrimidin-4-yl)amino]acetamide
PubChem CID100760258
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name2-[butyl-(2-ethyl-6-methylpyrimidin-4-yl)amino]acetamide
SMILESCCCCN(CC(N)=O)c1cc(C)nc(CC)n1
InChIInChI=1S/C13H22N4O/c1-4-6-7-17(9-11(14)18)13-8-10(3)15-12(5-2)16-13/h8H,4-7,9H2,1-3H3,(H2,14,18)
InChIKeyAMUSLRGASRUANR-UHFFFAOYSA-N
XLogP1.44
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
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 2-[butyl-(2-ethyl-6-methylpyrimidin-4-yl)amino]acetamide?
The IUPAC name of 2-[butyl-(2-ethyl-6-methylpyrimidin-4-yl)amino]acetamide (CID 100760258) is 2-[butyl-(2-ethyl-6-methylpyrimidin-4-yl)amino]acetamide.
What is the SMILES notation for 2-[butyl-(2-ethyl-6-methylpyrimidin-4-yl)amino]acetamide?
The canonical SMILES for 2-[butyl-(2-ethyl-6-methylpyrimidin-4-yl)amino]acetamide is CCCCN(CC(N)=O)c1cc(C)nc(CC)n1.
What is the InChIKey of 2-[butyl-(2-ethyl-6-methylpyrimidin-4-yl)amino]acetamide?
The InChIKey is AMUSLRGASRUANR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-4-6-7-17(9-11(14)18)13-8-10(3)15-12(5-2)16-13/h8H,4-7,9H2,1-3H3,(H2,14,18).
What are the key properties of 2-[butyl-(2-ethyl-6-methylpyrimidin-4-yl)amino]acetamide?
2-[butyl-(2-ethyl-6-methylpyrimidin-4-yl)amino]acetamide has a molecular weight of 250.35 g/mol, XLogP of 1.44, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butyl-(2-ethyl-6-methylpyrimidin-4-yl)amino]acetamide is sourced from PubChem (CID 100760258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).