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

C9H10N2O4 — CID 136866611

IUPAC2-(4-oxo-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-yl)acetic acid
SMILESO=C(O)Cc1nc2c(c(=O)[nH]1)COCC2
InChIInChI=1S/C9H10N2O4/c12-8(13)3-7-10-6-1-2-15-4-5(6)9(14)11-7/h1-4H2,(H,12,13)(H,10,11,14)
InChIKeyGAJDQJRAPZTCSL-UHFFFAOYSA-N
MW210.19 g/mol
LogP-0.53
Rot. Bonds2

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

2-(4-oxo-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-yl)acetic acid (PubChem CID 136866611) has the molecular formula C9H10N2O4 and a molecular weight of 210.19 g/mol. Its IUPAC name is 2-(4-oxo-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-yl)acetic acid.

Molecular Properties

Compound Name2-(4-oxo-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-yl)acetic acid
PubChem CID136866611
Molecular FormulaC9H10N2O4
Molecular Weight210.19 g/mol
Exact Mass210.06
IUPAC Name2-(4-oxo-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-yl)acetic acid
SMILESO=C(O)Cc1nc2c(c(=O)[nH]1)COCC2
InChIInChI=1S/C9H10N2O4/c12-8(13)3-7-10-6-1-2-15-4-5(6)9(14)11-7/h1-4H2,(H,12,13)(H,10,11,14)
InChIKeyGAJDQJRAPZTCSL-UHFFFAOYSA-N
XLogP-0.53
TPSA92.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.19
LogP ≤ 5-0.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(2,2,2-Trifluoroethoxy)ethyl]-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
CID 136696151
2-(2,2,2-Trifluoroethyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
CID 136696335
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
(4-Oxo-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-yl)methylcarbamic acid
CID 136627210
3-(4-Oxo-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-yl)propanamide
CID 136627273
2-Ethyl-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
CID 136696292
4-(4-Oxo-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-yl)butanoic acid
CID 136930797
2-(chloromethyl)-7,8-dihydro-3H-pyrano[4,3-d]pyrimidine-4,5-dione
CID 136952962
Ethane;2-methyl-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
CID 144917811
Ethane;2-methyl-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
CID 144917824
2-(2-ethoxyethyl)-4-methyl-6-oxo-1H-pyrimidine-5-carboxylic acid
CID 136191393

Frequently Asked Questions

What is the IUPAC name of 2-(4-oxo-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-yl)acetic acid?
The IUPAC name of 2-(4-oxo-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-yl)acetic acid (CID 136866611) is 2-(4-oxo-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-yl)acetic acid.
What is the SMILES notation for 2-(4-oxo-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-yl)acetic acid?
The canonical SMILES for 2-(4-oxo-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-yl)acetic acid is O=C(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)acetic acid?
The InChIKey is GAJDQJRAPZTCSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O4/c12-8(13)3-7-10-6-1-2-15-4-5(6)9(14)11-7/h1-4H2,(H,12,13)(H,10,11,14).
What are the key properties of 2-(4-oxo-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-yl)acetic acid?
2-(4-oxo-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-yl)acetic acid has a molecular weight of 210.19 g/mol, XLogP of -0.53, 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)acetic acid is sourced from PubChem (CID 136866611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).