methyl 4-oxo-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidine-2-carboxylate

C9H10N2O4 — CID 136696271

IUPACmethyl 4-oxo-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidine-2-carboxylate
SMILESCOC(=O)c1nc2c(c(=O)[nH]1)COCC2
InChIInChI=1S/C9H10N2O4/c1-14-9(13)7-10-6-2-3-15-4-5(6)8(12)11-7/h2-4H2,1H3,(H,10,11,12)
InChIKeySWOYKMMPNCSCMV-UHFFFAOYSA-N
MW210.19 g/mol
LogP-0.37
Rot. Bonds1

About methyl 4-oxo-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidine-2-carboxylate

methyl 4-oxo-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidine-2-carboxylate (PubChem CID 136696271) has the molecular formula C9H10N2O4 and a molecular weight of 210.19 g/mol. Its IUPAC name is methyl 4-oxo-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-oxo-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidine-2-carboxylate
PubChem CID136696271
Molecular FormulaC9H10N2O4
Molecular Weight210.19 g/mol
Exact Mass210.06
IUPAC Namemethyl 4-oxo-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidine-2-carboxylate
SMILESCOC(=O)c1nc2c(c(=O)[nH]1)COCC2
InChIInChI=1S/C9H10N2O4/c1-14-9(13)7-10-6-2-3-15-4-5(6)8(12)11-7/h2-4H2,1H3,(H,10,11,12)
InChIKeySWOYKMMPNCSCMV-UHFFFAOYSA-N
XLogP-0.37
TPSA81.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.19
LogP ≤ 5-0.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Methyl 8-ethyl-4-oxo-3,5-dihydropyrano[4,3-d]pyrimidine-2-carboxylate
CID 139250526
8-Ethyl-4-oxo-3,5-dihydropyrano[4,3-d]pyrimidine-2-carboxylic acid
CID 139250532
2-Methyl-7,8-dihydro-3H-pyrano[4,3-d]pyrimidin-4(5H)-one
CID 135741851
4-(ethoxymethyl)-5-methyl-6-oxo-1H-pyrimidine-2-carboxylic acid
CID 136201157
2-Acetyl-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
CID 136693520
4-Oxo-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidine-2-carboxylic acid
CID 136693538
4-Oxo-3,5,6,8-tetrahydropyrano[3,4-d]pyrimidine-2-carboxylic acid
CID 136693539
2-(Ethoxymethyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
CID 136696136
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-Ethoxypropan-2-yl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
CID 136696178
2-(Methoxymethyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
CID 136696186

Frequently Asked Questions

What is the IUPAC name of methyl 4-oxo-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidine-2-carboxylate?
The IUPAC name of methyl 4-oxo-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidine-2-carboxylate (CID 136696271) is methyl 4-oxo-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidine-2-carboxylate.
What is the SMILES notation for methyl 4-oxo-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidine-2-carboxylate?
The canonical SMILES for methyl 4-oxo-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidine-2-carboxylate is COC(=O)c1nc2c(c(=O)[nH]1)COCC2.
What is the InChIKey of methyl 4-oxo-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidine-2-carboxylate?
The InChIKey is SWOYKMMPNCSCMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O4/c1-14-9(13)7-10-6-2-3-15-4-5(6)8(12)11-7/h2-4H2,1H3,(H,10,11,12).
What are the key properties of methyl 4-oxo-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidine-2-carboxylate?
methyl 4-oxo-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidine-2-carboxylate has a molecular weight of 210.19 g/mol, XLogP of -0.37, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-oxo-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidine-2-carboxylate is sourced from PubChem (CID 136696271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).