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

C13H18N2O4 — CID 136696149

IUPAC2-(4-methoxyoxan-4-yl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
SMILESCOC1(c2nc3c(c(=O)[nH]2)COCC3)CCOCC1
InChIInChI=1S/C13H18N2O4/c1-17-13(3-6-18-7-4-13)12-14-10-2-5-19-8-9(10)11(16)15-12/h2-8H2,1H3,(H,14,15,16)
InChIKeyPYPAUFVRBQTTBJ-UHFFFAOYSA-N
MW266.30 g/mol
LogP0.49
Rot. Bonds2

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

2-(4-methoxyoxan-4-yl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one (PubChem CID 136696149) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is 2-(4-methoxyoxan-4-yl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-(4-methoxyoxan-4-yl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
PubChem CID136696149
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Name2-(4-methoxyoxan-4-yl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
SMILESCOC1(c2nc3c(c(=O)[nH]2)COCC3)CCOCC1
InChIInChI=1S/C13H18N2O4/c1-17-13(3-6-18-7-4-13)12-14-10-2-5-19-8-9(10)11(16)15-12/h2-8H2,1H3,(H,14,15,16)
InChIKeyPYPAUFVRBQTTBJ-UHFFFAOYSA-N
XLogP0.49
TPSA73.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1-Methoxycyclobutyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
CID 136696145
2-(3-Ethoxypentan-3-yl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
CID 136696147
2-(1-Ethoxycyclohexyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
CID 136696148
2-(2-Ethoxypropan-2-yl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
CID 136696178
2-(1-Ethoxycyclopentyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
CID 136696179
2-(2-Methoxypropan-2-yl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
CID 136696195
2-(1-Ethoxybutyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
CID 136696205
2-(2-Methyloxolan-2-yl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
CID 136696250
2-(1-Methoxycyclopentyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
CID 136696254
2-(3-Methoxypentan-3-yl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
CID 136696281
2-(1-Methoxy-3-methylcyclohexyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
CID 136696282
2-(Oxan-4-yl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
CID 136696313

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyoxan-4-yl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one?
The IUPAC name of 2-(4-methoxyoxan-4-yl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one (CID 136696149) is 2-(4-methoxyoxan-4-yl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-(4-methoxyoxan-4-yl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one?
The canonical SMILES for 2-(4-methoxyoxan-4-yl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one is COC1(c2nc3c(c(=O)[nH]2)COCC3)CCOCC1.
What is the InChIKey of 2-(4-methoxyoxan-4-yl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one?
The InChIKey is PYPAUFVRBQTTBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-17-13(3-6-18-7-4-13)12-14-10-2-5-19-8-9(10)11(16)15-12/h2-8H2,1H3,(H,14,15,16).
What are the key properties of 2-(4-methoxyoxan-4-yl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one?
2-(4-methoxyoxan-4-yl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one has a molecular weight of 266.30 g/mol, XLogP of 0.49, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyoxan-4-yl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 136696149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).