2-(2,4-dioxo-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl)acetamide

C9H12N4O3 — CID 112708099

IUPAC2-(2,4-dioxo-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl)acetamide
SMILESNC(=O)CN1CCc2[nH]c(=O)[nH]c(=O)c2C1
InChIInChI=1S/C9H12N4O3/c10-7(14)4-13-2-1-6-5(3-13)8(15)12-9(16)11-6/h1-4H2,(H2,10,14)(H2,11,12,15,16)
InChIKeyDJBRQBFWSORZIE-UHFFFAOYSA-N
MW224.22 g/mol
LogP-2.09
Rot. Bonds2

About 2-(2,4-dioxo-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl)acetamide

2-(2,4-dioxo-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl)acetamide (PubChem CID 112708099) has the molecular formula C9H12N4O3 and a molecular weight of 224.22 g/mol. Its IUPAC name is 2-(2,4-dioxo-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl)acetamide.

Molecular Properties

Compound Name2-(2,4-dioxo-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl)acetamide
PubChem CID112708099
Molecular FormulaC9H12N4O3
Molecular Weight224.22 g/mol
Exact Mass224.09
IUPAC Name2-(2,4-dioxo-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl)acetamide
SMILESNC(=O)CN1CCc2[nH]c(=O)[nH]c(=O)c2C1
InChIInChI=1S/C9H12N4O3/c10-7(14)4-13-2-1-6-5(3-13)8(15)12-9(16)11-6/h1-4H2,(H2,10,14)(H2,11,12,15,16)
InChIKeyDJBRQBFWSORZIE-UHFFFAOYSA-N
XLogP-2.09
TPSA112.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 5-2.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dioxo-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl)acetamide?
The IUPAC name of 2-(2,4-dioxo-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl)acetamide (CID 112708099) is 2-(2,4-dioxo-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl)acetamide.
What is the SMILES notation for 2-(2,4-dioxo-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl)acetamide?
The canonical SMILES for 2-(2,4-dioxo-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl)acetamide is NC(=O)CN1CCc2[nH]c(=O)[nH]c(=O)c2C1.
What is the InChIKey of 2-(2,4-dioxo-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl)acetamide?
The InChIKey is DJBRQBFWSORZIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O3/c10-7(14)4-13-2-1-6-5(3-13)8(15)12-9(16)11-6/h1-4H2,(H2,10,14)(H2,11,12,15,16).
What are the key properties of 2-(2,4-dioxo-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl)acetamide?
2-(2,4-dioxo-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl)acetamide has a molecular weight of 224.22 g/mol, XLogP of -2.09, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dioxo-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl)acetamide is sourced from PubChem (CID 112708099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).