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

C10H13N3O3 — CID 136627273

IUPAC3-(4-oxo-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-yl)propanamide
SMILESNC(=O)CCc1nc2c(c(=O)[nH]1)COCC2
InChIInChI=1S/C10H13N3O3/c11-8(14)1-2-9-12-7-3-4-16-5-6(7)10(15)13-9/h1-5H2,(H2,11,14)(H,12,13,15)
InChIKeyACSVTKFJHILVRR-UHFFFAOYSA-N
MW223.23 g/mol
LogP-0.74
Rot. Bonds3

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

3-(4-oxo-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-yl)propanamide (PubChem CID 136627273) has the molecular formula C10H13N3O3 and a molecular weight of 223.23 g/mol. Its IUPAC name is 3-(4-oxo-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-yl)propanamide.

Molecular Properties

Compound Name3-(4-oxo-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-yl)propanamide
PubChem CID136627273
Molecular FormulaC10H13N3O3
Molecular Weight223.23 g/mol
Exact Mass223.10
IUPAC Name3-(4-oxo-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-yl)propanamide
SMILESNC(=O)CCc1nc2c(c(=O)[nH]1)COCC2
InChIInChI=1S/C10H13N3O3/c11-8(14)1-2-9-12-7-3-4-16-5-6(7)10(15)13-9/h1-5H2,(H2,11,14)(H,12,13,15)
InChIKeyACSVTKFJHILVRR-UHFFFAOYSA-N
XLogP-0.74
TPSA98.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 5-0.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-oxo-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-yl)propanamide?
The IUPAC name of 3-(4-oxo-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-yl)propanamide (CID 136627273) is 3-(4-oxo-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-yl)propanamide.
What is the SMILES notation for 3-(4-oxo-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-yl)propanamide?
The canonical SMILES for 3-(4-oxo-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-yl)propanamide is NC(=O)CCc1nc2c(c(=O)[nH]1)COCC2.
What is the InChIKey of 3-(4-oxo-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-yl)propanamide?
The InChIKey is ACSVTKFJHILVRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3/c11-8(14)1-2-9-12-7-3-4-16-5-6(7)10(15)13-9/h1-5H2,(H2,11,14)(H,12,13,15).
What are the key properties of 3-(4-oxo-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-yl)propanamide?
3-(4-oxo-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-yl)propanamide has a molecular weight of 223.23 g/mol, XLogP of -0.74, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-oxo-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-yl)propanamide is sourced from PubChem (CID 136627273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).