2-(4-oxo-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-yl)acetamide

C9H11N3O3 — CID 136696262

IUPAC2-(4-oxo-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-yl)acetamide
SMILESNC(=O)Cc1nc2c(c(=O)[nH]1)COCC2
InChIInChI=1S/C9H11N3O3/c10-7(13)3-8-11-6-1-2-15-4-5(6)9(14)12-8/h1-4H2,(H2,10,13)(H,11,12,14)
InChIKeyOKXWKFOUJPHRDK-UHFFFAOYSA-N
MW209.20 g/mol
LogP-1.13
Rot. Bonds2

About 2-(4-oxo-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-yl)acetamide

2-(4-oxo-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-yl)acetamide (PubChem CID 136696262) has the molecular formula C9H11N3O3 and a molecular weight of 209.20 g/mol. Its IUPAC name is 2-(4-oxo-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-oxo-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-yl)acetamide
PubChem CID136696262
Molecular FormulaC9H11N3O3
Molecular Weight209.20 g/mol
Exact Mass209.08
IUPAC Name2-(4-oxo-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-yl)acetamide
SMILESNC(=O)Cc1nc2c(c(=O)[nH]1)COCC2
InChIInChI=1S/C9H11N3O3/c10-7(13)3-8-11-6-1-2-15-4-5(6)9(14)12-8/h1-4H2,(H2,10,13)(H,11,12,14)
InChIKeyOKXWKFOUJPHRDK-UHFFFAOYSA-N
XLogP-1.13
TPSA98.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.20
LogP ≤ 5-1.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(4-oxo-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-((2-fluoroethylamino)methyl)-7,8-dihydro-3H-pyrano[4,3-d]pyrimidin-4(5H)-one
CID 136627235
2-[2-(2,2,2-Trifluoroethoxy)ethyl]-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
CID 136696151
2-(2,2,2-Trifluoroethoxymethyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
CID 136696208
2-(2,2,3,3-Tetrafluoropropoxymethyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
CID 136696284
2-(2,2,2-Trifluoroethyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
CID 136696335
2-(3,3,3-Trifluoropropyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
CID 136982249
2-[2-(2,2-Difluoroethoxy)ethyl]-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
CID 136982269
2-Methyl-7,8-dihydro-3H-pyrano[4,3-d]pyrimidin-4(5H)-one
CID 135741851
2-(Aminomethyl)-7,8-dihydro-3H-pyrano[4,3-D]pyrimidin-4(5H)-one
CID 135741894
2-(Chloromethyl)-7,8-dihydro-3H-pyrano[4,3-D]pyrimidin-4(5H)-one
CID 135741947
2-((isobutylamino)methyl)-7,8-dihydro-3H-pyrano[4,3-d]pyrimidin-4(5H)-one
CID 136244071
2-((propylamino)methyl)-7,8-dihydro-3H-pyrano[4,3-d]pyrimidin-4(5H)-one
CID 136244072

Frequently Asked Questions

What is the IUPAC name of 2-(4-oxo-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-yl)acetamide?
The IUPAC name of 2-(4-oxo-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-yl)acetamide (CID 136696262) is 2-(4-oxo-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-yl)acetamide.
What is the SMILES notation for 2-(4-oxo-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-yl)acetamide?
The canonical SMILES for 2-(4-oxo-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-yl)acetamide is NC(=O)Cc1nc2c(c(=O)[nH]1)COCC2.
What is the InChIKey of 2-(4-oxo-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-yl)acetamide?
The InChIKey is OKXWKFOUJPHRDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O3/c10-7(13)3-8-11-6-1-2-15-4-5(6)9(14)12-8/h1-4H2,(H2,10,13)(H,11,12,14).
What are the key properties of 2-(4-oxo-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-yl)acetamide?
2-(4-oxo-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-yl)acetamide has a molecular weight of 209.20 g/mol, XLogP of -1.13, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-oxo-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-yl)acetamide is sourced from PubChem (CID 136696262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).