2-(1-methoxycyclobutyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one

C12H16N2O3 — CID 136696145

IUPAC2-(1-methoxycyclobutyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
SMILESCOC1(c2nc3c(c(=O)[nH]2)COCC3)CCC1
InChIInChI=1S/C12H16N2O3/c1-16-12(4-2-5-12)11-13-9-3-6-17-7-8(9)10(15)14-11/h2-7H2,1H3,(H,13,14,15)
InChIKeyDNGSKMUOIUUYPO-UHFFFAOYSA-N
MW236.27 g/mol
LogP0.87
Rot. Bonds2

About 2-(1-methoxycyclobutyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one

2-(1-methoxycyclobutyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one (PubChem CID 136696145) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is 2-(1-methoxycyclobutyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-(1-methoxycyclobutyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
PubChem CID136696145
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name2-(1-methoxycyclobutyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
SMILESCOC1(c2nc3c(c(=O)[nH]2)COCC3)CCC1
InChIInChI=1S/C12H16N2O3/c1-16-12(4-2-5-12)11-13-9-3-6-17-7-8(9)10(15)14-11/h2-7H2,1H3,(H,13,14,15)
InChIKeyDNGSKMUOIUUYPO-UHFFFAOYSA-N
XLogP0.87
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(1-methoxycyclobutyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(Ethoxymethyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
CID 136696136
2-[Cyclopropyl(ethoxy)methyl]-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
CID 136696146
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-(4-Methoxyoxan-4-yl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
CID 136696149
2-(1-Ethoxycycloheptyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
CID 136696150
2-(Propoxymethyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
CID 136696155
2-(1-Methoxyethyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
CID 136696169
2-[Cyclopropyl(methoxy)methyl]-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
CID 136696177
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-(1-Methoxycycloheptyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
CID 136696181

Frequently Asked Questions

What is the IUPAC name of 2-(1-methoxycyclobutyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one?
The IUPAC name of 2-(1-methoxycyclobutyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one (CID 136696145) is 2-(1-methoxycyclobutyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-(1-methoxycyclobutyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one?
The canonical SMILES for 2-(1-methoxycyclobutyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one is COC1(c2nc3c(c(=O)[nH]2)COCC3)CCC1.
What is the InChIKey of 2-(1-methoxycyclobutyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one?
The InChIKey is DNGSKMUOIUUYPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-16-12(4-2-5-12)11-13-9-3-6-17-7-8(9)10(15)14-11/h2-7H2,1H3,(H,13,14,15).
What are the key properties of 2-(1-methoxycyclobutyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one?
2-(1-methoxycyclobutyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one has a molecular weight of 236.27 g/mol, XLogP of 0.87, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methoxycyclobutyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 136696145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).