N-butan-2-yl-2-(6-oxopyrimidin-1-yl)acetamide

C10H15N3O2 — CID 115696920

IUPACN-butan-2-yl-2-(6-oxopyrimidin-1-yl)acetamide
SMILESCCC(C)NC(=O)Cn1cnccc1=O
InChIInChI=1S/C10H15N3O2/c1-3-8(2)12-9(14)6-13-7-11-5-4-10(13)15/h4-5,7-8H,3,6H2,1-2H3,(H,12,14)
InChIKeyAXQWBCYGRFZYKI-UHFFFAOYSA-N
MW209.25 g/mol
LogP0.16
Rot. Bonds4

About N-butan-2-yl-2-(6-oxopyrimidin-1-yl)acetamide

N-butan-2-yl-2-(6-oxopyrimidin-1-yl)acetamide (PubChem CID 115696920) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is N-butan-2-yl-2-(6-oxopyrimidin-1-yl)acetamide.

Molecular Properties

Compound NameN-butan-2-yl-2-(6-oxopyrimidin-1-yl)acetamide
PubChem CID115696920
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC NameN-butan-2-yl-2-(6-oxopyrimidin-1-yl)acetamide
SMILESCCC(C)NC(=O)Cn1cnccc1=O
InChIInChI=1S/C10H15N3O2/c1-3-8(2)12-9(14)6-13-7-11-5-4-10(13)15/h4-5,7-8H,3,6H2,1-2H3,(H,12,14)
InChIKeyAXQWBCYGRFZYKI-UHFFFAOYSA-N
XLogP0.16
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-(6-oxopyrimidin-1-yl)acetamide?
The IUPAC name of N-butan-2-yl-2-(6-oxopyrimidin-1-yl)acetamide (CID 115696920) is N-butan-2-yl-2-(6-oxopyrimidin-1-yl)acetamide.
What is the SMILES notation for N-butan-2-yl-2-(6-oxopyrimidin-1-yl)acetamide?
The canonical SMILES for N-butan-2-yl-2-(6-oxopyrimidin-1-yl)acetamide is CCC(C)NC(=O)Cn1cnccc1=O.
What is the InChIKey of N-butan-2-yl-2-(6-oxopyrimidin-1-yl)acetamide?
The InChIKey is AXQWBCYGRFZYKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-3-8(2)12-9(14)6-13-7-11-5-4-10(13)15/h4-5,7-8H,3,6H2,1-2H3,(H,12,14).
What are the key properties of N-butan-2-yl-2-(6-oxopyrimidin-1-yl)acetamide?
N-butan-2-yl-2-(6-oxopyrimidin-1-yl)acetamide has a molecular weight of 209.25 g/mol, XLogP of 0.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-(6-oxopyrimidin-1-yl)acetamide is sourced from PubChem (CID 115696920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).