2-(2-hydroxyethyl)-3,5,6,8-tetrahydropyrano[3,4-d]pyrimidin-4-one

C9H12N2O3 — CID 136693545

IUPAC2-(2-hydroxyethyl)-3,5,6,8-tetrahydropyrano[3,4-d]pyrimidin-4-one
SMILESO=c1[nH]c(CCO)nc2c1CCOC2
InChIInChI=1S/C9H12N2O3/c12-3-1-8-10-7-5-14-4-2-6(7)9(13)11-8/h12H,1-5H2,(H,10,11,13)
InChIKeyPUOAPUFHIWMPGZ-UHFFFAOYSA-N
MW196.21 g/mol
LogP-0.62
Rot. Bonds2

About 2-(2-hydroxyethyl)-3,5,6,8-tetrahydropyrano[3,4-d]pyrimidin-4-one

2-(2-hydroxyethyl)-3,5,6,8-tetrahydropyrano[3,4-d]pyrimidin-4-one (PubChem CID 136693545) has the molecular formula C9H12N2O3 and a molecular weight of 196.21 g/mol. Its IUPAC name is 2-(2-hydroxyethyl)-3,5,6,8-tetrahydropyrano[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-(2-hydroxyethyl)-3,5,6,8-tetrahydropyrano[3,4-d]pyrimidin-4-one
PubChem CID136693545
Molecular FormulaC9H12N2O3
Molecular Weight196.21 g/mol
Exact Mass196.08
IUPAC Name2-(2-hydroxyethyl)-3,5,6,8-tetrahydropyrano[3,4-d]pyrimidin-4-one
SMILESO=c1[nH]c(CCO)nc2c1CCOC2
InChIInChI=1S/C9H12N2O3/c12-3-1-8-10-7-5-14-4-2-6(7)9(13)11-8/h12H,1-5H2,(H,10,11,13)
InChIKeyPUOAPUFHIWMPGZ-UHFFFAOYSA-N
XLogP-0.62
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 5-0.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-Ethyl-5-(2-hydroxyethyl)-6-methylpyrimidin-4-ol
CID 136219449
3-(4-Oxo-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-yl)propanamide
CID 136627273
2-Ethyl-3,5,6,8-tetrahydropyrano[3,4-d]pyrimidin-4-one
CID 172272495
2-Methyl-3,5,6,8-tetrahydropyrano[3,4-d]pyrimidin-4-one
CID 172272534
2-(1-ethoxyethyl)-5-(2-hydroxyethyl)-4-methyl-1H-pyrimidin-6-one
CID 136219405
2-(ethoxymethyl)-5-(2-hydroxyethyl)-4-methyl-1H-pyrimidin-6-one
CID 136233888
5-(2-hydroxyethyl)-4-methyl-2-(propoxymethyl)-1H-pyrimidin-6-one
CID 136243946
5-(2-hydroxyethyl)-2-(2-methoxyethyl)-4-methyl-1H-pyrimidin-6-one
CID 136243957
5-(2-hydroxyethyl)-2-(methoxymethyl)-4-methyl-1H-pyrimidin-6-one
CID 136243958
5-(2-hydroxyethyl)-2-(3-methoxypropyl)-4-methyl-1H-pyrimidin-6-one
CID 136272135
2-Acetyl-3,5,6,8-tetrahydropyrano[3,4-d]pyrimidin-4-one
CID 136693521
2-(Methylaminomethyl)-3,5,6,8-tetrahydropyrano[3,4-d]pyrimidin-4-one
CID 136693529

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethyl)-3,5,6,8-tetrahydropyrano[3,4-d]pyrimidin-4-one?
The IUPAC name of 2-(2-hydroxyethyl)-3,5,6,8-tetrahydropyrano[3,4-d]pyrimidin-4-one (CID 136693545) is 2-(2-hydroxyethyl)-3,5,6,8-tetrahydropyrano[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 2-(2-hydroxyethyl)-3,5,6,8-tetrahydropyrano[3,4-d]pyrimidin-4-one?
The canonical SMILES for 2-(2-hydroxyethyl)-3,5,6,8-tetrahydropyrano[3,4-d]pyrimidin-4-one is O=c1[nH]c(CCO)nc2c1CCOC2.
What is the InChIKey of 2-(2-hydroxyethyl)-3,5,6,8-tetrahydropyrano[3,4-d]pyrimidin-4-one?
The InChIKey is PUOAPUFHIWMPGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3/c12-3-1-8-10-7-5-14-4-2-6(7)9(13)11-8/h12H,1-5H2,(H,10,11,13).
What are the key properties of 2-(2-hydroxyethyl)-3,5,6,8-tetrahydropyrano[3,4-d]pyrimidin-4-one?
2-(2-hydroxyethyl)-3,5,6,8-tetrahydropyrano[3,4-d]pyrimidin-4-one has a molecular weight of 196.21 g/mol, XLogP of -0.62, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethyl)-3,5,6,8-tetrahydropyrano[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 136693545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).