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

C10H13N3O3 — CID 136627212

IUPACN-[(4-oxo-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-yl)methyl]acetamide
SMILESCC(=O)NCc1nc2c(c(=O)[nH]1)COCC2
InChIInChI=1S/C10H13N3O3/c1-6(14)11-4-9-12-8-2-3-16-5-7(8)10(15)13-9/h2-5H2,1H3,(H,11,14)(H,12,13,15)
InChIKeyHBCMUFLGHREOSX-UHFFFAOYSA-N
MW223.23 g/mol
LogP-0.52
Rot. Bonds2

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

N-[(4-oxo-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-yl)methyl]acetamide (PubChem CID 136627212) has the molecular formula C10H13N3O3 and a molecular weight of 223.23 g/mol. Its IUPAC name is N-[(4-oxo-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-yl)methyl]acetamide.

Molecular Properties

Compound NameN-[(4-oxo-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-yl)methyl]acetamide
PubChem CID136627212
Molecular FormulaC10H13N3O3
Molecular Weight223.23 g/mol
Exact Mass223.10
IUPAC NameN-[(4-oxo-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-yl)methyl]acetamide
SMILESCC(=O)NCc1nc2c(c(=O)[nH]1)COCC2
InChIInChI=1S/C10H13N3O3/c1-6(14)11-4-9-12-8-2-3-16-5-7(8)10(15)13-9/h2-5H2,1H3,(H,11,14)(H,12,13,15)
InChIKeyHBCMUFLGHREOSX-UHFFFAOYSA-N
XLogP-0.52
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 5-0.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(4-oxo-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-yl)methyl]acetamide?
The IUPAC name of N-[(4-oxo-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-yl)methyl]acetamide (CID 136627212) is N-[(4-oxo-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-yl)methyl]acetamide.
What is the SMILES notation for N-[(4-oxo-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-yl)methyl]acetamide?
The canonical SMILES for N-[(4-oxo-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-yl)methyl]acetamide is CC(=O)NCc1nc2c(c(=O)[nH]1)COCC2.
What is the InChIKey of N-[(4-oxo-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-yl)methyl]acetamide?
The InChIKey is HBCMUFLGHREOSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3/c1-6(14)11-4-9-12-8-2-3-16-5-7(8)10(15)13-9/h2-5H2,1H3,(H,11,14)(H,12,13,15).
What are the key properties of N-[(4-oxo-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-yl)methyl]acetamide?
N-[(4-oxo-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-yl)methyl]acetamide has a molecular weight of 223.23 g/mol, XLogP of -0.52, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-oxo-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-yl)methyl]acetamide is sourced from PubChem (CID 136627212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).