2-[cyclopropyl(ethoxy)methyl]-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one

C13H18N2O3 — CID 136696146

IUPAC2-[cyclopropyl(ethoxy)methyl]-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
SMILESCCOC(c1nc2c(c(=O)[nH]1)COCC2)C1CC1
InChIInChI=1S/C13H18N2O3/c1-2-18-11(8-3-4-8)12-14-10-5-6-17-7-9(10)13(16)15-12/h8,11H,2-7H2,1H3,(H,14,15,16)
InChIKeyXLMVCRWMODRWKI-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.33
Rot. Bonds4

About 2-[cyclopropyl(ethoxy)methyl]-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one

2-[cyclopropyl(ethoxy)methyl]-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one (PubChem CID 136696146) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 2-[cyclopropyl(ethoxy)methyl]-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-[cyclopropyl(ethoxy)methyl]-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
PubChem CID136696146
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name2-[cyclopropyl(ethoxy)methyl]-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
SMILESCCOC(c1nc2c(c(=O)[nH]1)COCC2)C1CC1
InChIInChI=1S/C13H18N2O3/c1-2-18-11(8-3-4-8)12-14-10-5-6-17-7-9(10)13(16)15-12/h8,11H,2-7H2,1H3,(H,14,15,16)
InChIKeyXLMVCRWMODRWKI-UHFFFAOYSA-N
XLogP1.33
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-Butan-2-yl-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
CID 136696218
2-(4-Methoxybutyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
CID 149489962
2-(3-Cyclopropylpropyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
CID 161304462
2-(Ethoxymethyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
CID 136696136
2-(Cyclopropylmethyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
CID 136696140
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-(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-(2-Methoxypropyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
CID 136696175
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

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(ethoxy)methyl]-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one?
The IUPAC name of 2-[cyclopropyl(ethoxy)methyl]-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one (CID 136696146) is 2-[cyclopropyl(ethoxy)methyl]-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-[cyclopropyl(ethoxy)methyl]-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one?
The canonical SMILES for 2-[cyclopropyl(ethoxy)methyl]-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one is CCOC(c1nc2c(c(=O)[nH]1)COCC2)C1CC1.
What is the InChIKey of 2-[cyclopropyl(ethoxy)methyl]-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one?
The InChIKey is XLMVCRWMODRWKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-2-18-11(8-3-4-8)12-14-10-5-6-17-7-9(10)13(16)15-12/h8,11H,2-7H2,1H3,(H,14,15,16).
What are the key properties of 2-[cyclopropyl(ethoxy)methyl]-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one?
2-[cyclopropyl(ethoxy)methyl]-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one has a molecular weight of 250.30 g/mol, XLogP of 1.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(ethoxy)methyl]-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 136696146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).