3-methyl-N-(1-methyl-6-oxopyrimidin-5-yl)butanamide

C10H15N3O2 — CID 176873203

IUPAC3-methyl-N-(1-methyl-6-oxopyrimidin-5-yl)butanamide
SMILESCC(C)CC(=O)Nc1cncn(C)c1=O
InChIInChI=1S/C10H15N3O2/c1-7(2)4-9(14)12-8-5-11-6-13(3)10(8)15/h5-7H,4H2,1-3H3,(H,12,14)
InChIKeyYOUCQQQABZJATL-UHFFFAOYSA-N
MW209.25 g/mol
LogP0.76
Rot. Bonds3

About 3-methyl-N-(1-methyl-6-oxopyrimidin-5-yl)butanamide

3-methyl-N-(1-methyl-6-oxopyrimidin-5-yl)butanamide (PubChem CID 176873203) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is 3-methyl-N-(1-methyl-6-oxopyrimidin-5-yl)butanamide.

Molecular Properties

Compound Name3-methyl-N-(1-methyl-6-oxopyrimidin-5-yl)butanamide
PubChem CID176873203
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name3-methyl-N-(1-methyl-6-oxopyrimidin-5-yl)butanamide
SMILESCC(C)CC(=O)Nc1cncn(C)c1=O
InChIInChI=1S/C10H15N3O2/c1-7(2)4-9(14)12-8-5-11-6-13(3)10(8)15/h5-7H,4H2,1-3H3,(H,12,14)
InChIKeyYOUCQQQABZJATL-UHFFFAOYSA-N
XLogP0.76
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(1-methyl-6-oxopyrimidin-5-yl)butanamide?
The IUPAC name of 3-methyl-N-(1-methyl-6-oxopyrimidin-5-yl)butanamide (CID 176873203) is 3-methyl-N-(1-methyl-6-oxopyrimidin-5-yl)butanamide.
What is the SMILES notation for 3-methyl-N-(1-methyl-6-oxopyrimidin-5-yl)butanamide?
The canonical SMILES for 3-methyl-N-(1-methyl-6-oxopyrimidin-5-yl)butanamide is CC(C)CC(=O)Nc1cncn(C)c1=O.
What is the InChIKey of 3-methyl-N-(1-methyl-6-oxopyrimidin-5-yl)butanamide?
The InChIKey is YOUCQQQABZJATL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-7(2)4-9(14)12-8-5-11-6-13(3)10(8)15/h5-7H,4H2,1-3H3,(H,12,14).
What are the key properties of 3-methyl-N-(1-methyl-6-oxopyrimidin-5-yl)butanamide?
3-methyl-N-(1-methyl-6-oxopyrimidin-5-yl)butanamide has a molecular weight of 209.25 g/mol, XLogP of 0.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(1-methyl-6-oxopyrimidin-5-yl)butanamide is sourced from PubChem (CID 176873203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).