2-[butyl(pyrimidin-2-yl)amino]acetamide

C10H16N4O — CID 84590934

IUPAC2-[butyl(pyrimidin-2-yl)amino]acetamide
SMILESCCCCN(CC(N)=O)c1ncccn1
InChIInChI=1S/C10H16N4O/c1-2-3-7-14(8-9(11)15)10-12-5-4-6-13-10/h4-6H,2-3,7-8H2,1H3,(H2,11,15)
InChIKeyVEPCNNVURQJCPQ-UHFFFAOYSA-N
MW208.27 g/mol
LogP0.57
Rot. Bonds6

About 2-[butyl(pyrimidin-2-yl)amino]acetamide

2-[butyl(pyrimidin-2-yl)amino]acetamide (PubChem CID 84590934) has the molecular formula C10H16N4O and a molecular weight of 208.27 g/mol. Its IUPAC name is 2-[butyl(pyrimidin-2-yl)amino]acetamide.

Molecular Properties

Compound Name2-[butyl(pyrimidin-2-yl)amino]acetamide
PubChem CID84590934
Molecular FormulaC10H16N4O
Molecular Weight208.27 g/mol
Exact Mass208.13
IUPAC Name2-[butyl(pyrimidin-2-yl)amino]acetamide
SMILESCCCCN(CC(N)=O)c1ncccn1
InChIInChI=1S/C10H16N4O/c1-2-3-7-14(8-9(11)15)10-12-5-4-6-13-10/h4-6H,2-3,7-8H2,1H3,(H2,11,15)
InChIKeyVEPCNNVURQJCPQ-UHFFFAOYSA-N
XLogP0.57
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.27
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[butyl(pyrimidin-2-yl)amino]acetamide?
The IUPAC name of 2-[butyl(pyrimidin-2-yl)amino]acetamide (CID 84590934) is 2-[butyl(pyrimidin-2-yl)amino]acetamide.
What is the SMILES notation for 2-[butyl(pyrimidin-2-yl)amino]acetamide?
The canonical SMILES for 2-[butyl(pyrimidin-2-yl)amino]acetamide is CCCCN(CC(N)=O)c1ncccn1.
What is the InChIKey of 2-[butyl(pyrimidin-2-yl)amino]acetamide?
The InChIKey is VEPCNNVURQJCPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O/c1-2-3-7-14(8-9(11)15)10-12-5-4-6-13-10/h4-6H,2-3,7-8H2,1H3,(H2,11,15).
What are the key properties of 2-[butyl(pyrimidin-2-yl)amino]acetamide?
2-[butyl(pyrimidin-2-yl)amino]acetamide has a molecular weight of 208.27 g/mol, XLogP of 0.57, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butyl(pyrimidin-2-yl)amino]acetamide is sourced from PubChem (CID 84590934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).