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

C10H14N2O3 — CID 136866618

IUPAC2-(3-hydroxypropyl)-3,5,6,8-tetrahydropyrano[3,4-d]pyrimidin-4-one
SMILESO=c1[nH]c(CCCO)nc2c1CCOC2
InChIInChI=1S/C10H14N2O3/c13-4-1-2-9-11-8-6-15-5-3-7(8)10(14)12-9/h13H,1-6H2,(H,11,12,14)
InChIKeyOVNKHZZUSZXDSJ-UHFFFAOYSA-N
MW210.23 g/mol
LogP-0.23
Rot. Bonds3

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

2-(3-hydroxypropyl)-3,5,6,8-tetrahydropyrano[3,4-d]pyrimidin-4-one (PubChem CID 136866618) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is 2-(3-hydroxypropyl)-3,5,6,8-tetrahydropyrano[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-(3-hydroxypropyl)-3,5,6,8-tetrahydropyrano[3,4-d]pyrimidin-4-one
PubChem CID136866618
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Name2-(3-hydroxypropyl)-3,5,6,8-tetrahydropyrano[3,4-d]pyrimidin-4-one
SMILESO=c1[nH]c(CCCO)nc2c1CCOC2
InChIInChI=1S/C10H14N2O3/c13-4-1-2-9-11-8-6-15-5-3-7(8)10(14)12-9/h13H,1-6H2,(H,11,12,14)
InChIKeyOVNKHZZUSZXDSJ-UHFFFAOYSA-N
XLogP-0.23
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2-hydroxyethyl)-2,6-dimethyl-1H-pyrimidin-4-one
CID 135459367
2-Ethyl-5-(2-hydroxyethyl)-6-methylpyrimidin-4-ol
CID 136219449
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
5-(2-hydroxyethyl)-4-methyl-2-propyl-1H-pyrimidin-6-one
CID 136219450
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

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxypropyl)-3,5,6,8-tetrahydropyrano[3,4-d]pyrimidin-4-one?
The IUPAC name of 2-(3-hydroxypropyl)-3,5,6,8-tetrahydropyrano[3,4-d]pyrimidin-4-one (CID 136866618) is 2-(3-hydroxypropyl)-3,5,6,8-tetrahydropyrano[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 2-(3-hydroxypropyl)-3,5,6,8-tetrahydropyrano[3,4-d]pyrimidin-4-one?
The canonical SMILES for 2-(3-hydroxypropyl)-3,5,6,8-tetrahydropyrano[3,4-d]pyrimidin-4-one is O=c1[nH]c(CCCO)nc2c1CCOC2.
What is the InChIKey of 2-(3-hydroxypropyl)-3,5,6,8-tetrahydropyrano[3,4-d]pyrimidin-4-one?
The InChIKey is OVNKHZZUSZXDSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c13-4-1-2-9-11-8-6-15-5-3-7(8)10(14)12-9/h13H,1-6H2,(H,11,12,14).
What are the key properties of 2-(3-hydroxypropyl)-3,5,6,8-tetrahydropyrano[3,4-d]pyrimidin-4-one?
2-(3-hydroxypropyl)-3,5,6,8-tetrahydropyrano[3,4-d]pyrimidin-4-one has a molecular weight of 210.23 g/mol, XLogP of -0.23, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxypropyl)-3,5,6,8-tetrahydropyrano[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 136866618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).