2-(1,4-dimethyl-6-oxopyrimidin-2-yl)acetamide

C8H11N3O2 — CID 142628378

IUPAC2-(1,4-dimethyl-6-oxopyrimidin-2-yl)acetamide
SMILESCc1cc(=O)n(C)c(CC(N)=O)n1
InChIInChI=1S/C8H11N3O2/c1-5-3-8(13)11(2)7(10-5)4-6(9)12/h3H,4H2,1-2H3,(H2,9,12)
InChIKeyKBTBUQJTMVRYOA-UHFFFAOYSA-N
MW181.19 g/mol
LogP-0.88
Rot. Bonds2

About 2-(1,4-dimethyl-6-oxopyrimidin-2-yl)acetamide

2-(1,4-dimethyl-6-oxopyrimidin-2-yl)acetamide (PubChem CID 142628378) has the molecular formula C8H11N3O2 and a molecular weight of 181.19 g/mol. Its IUPAC name is 2-(1,4-dimethyl-6-oxopyrimidin-2-yl)acetamide.

Molecular Properties

Compound Name2-(1,4-dimethyl-6-oxopyrimidin-2-yl)acetamide
PubChem CID142628378
Molecular FormulaC8H11N3O2
Molecular Weight181.19 g/mol
Exact Mass181.09
IUPAC Name2-(1,4-dimethyl-6-oxopyrimidin-2-yl)acetamide
SMILESCc1cc(=O)n(C)c(CC(N)=O)n1
InChIInChI=1S/C8H11N3O2/c1-5-3-8(13)11(2)7(10-5)4-6(9)12/h3H,4H2,1-2H3,(H2,9,12)
InChIKeyKBTBUQJTMVRYOA-UHFFFAOYSA-N
XLogP-0.88
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 5-0.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1,4-dimethyl-6-oxopyrimidin-2-yl)acetamide?
The IUPAC name of 2-(1,4-dimethyl-6-oxopyrimidin-2-yl)acetamide (CID 142628378) is 2-(1,4-dimethyl-6-oxopyrimidin-2-yl)acetamide.
What is the SMILES notation for 2-(1,4-dimethyl-6-oxopyrimidin-2-yl)acetamide?
The canonical SMILES for 2-(1,4-dimethyl-6-oxopyrimidin-2-yl)acetamide is Cc1cc(=O)n(C)c(CC(N)=O)n1.
What is the InChIKey of 2-(1,4-dimethyl-6-oxopyrimidin-2-yl)acetamide?
The InChIKey is KBTBUQJTMVRYOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2/c1-5-3-8(13)11(2)7(10-5)4-6(9)12/h3H,4H2,1-2H3,(H2,9,12).
What are the key properties of 2-(1,4-dimethyl-6-oxopyrimidin-2-yl)acetamide?
2-(1,4-dimethyl-6-oxopyrimidin-2-yl)acetamide has a molecular weight of 181.19 g/mol, XLogP of -0.88, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-dimethyl-6-oxopyrimidin-2-yl)acetamide is sourced from PubChem (CID 142628378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).