2-methoxyethyl-[(4-oxo-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-yl)methyl]carbamic acid

C12H17N3O5 — CID 136627244

IUPAC2-methoxyethyl-[(4-oxo-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-yl)methyl]carbamic acid
SMILESCOCCN(Cc1nc2c(c(=O)[nH]1)COCC2)C(=O)O
InChIInChI=1S/C12H17N3O5/c1-19-5-3-15(12(17)18)6-10-13-9-2-4-20-7-8(9)11(16)14-10/h2-7H2,1H3,(H,17,18)(H,13,14,16)
InChIKeyUHPAENKAIUANDW-UHFFFAOYSA-N
MW283.28 g/mol
LogP-0.03
Rot. Bonds5

About 2-methoxyethyl-[(4-oxo-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-yl)methyl]carbamic acid

2-methoxyethyl-[(4-oxo-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-yl)methyl]carbamic acid (PubChem CID 136627244) has the molecular formula C12H17N3O5 and a molecular weight of 283.28 g/mol. Its IUPAC name is 2-methoxyethyl-[(4-oxo-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-yl)methyl]carbamic acid.

Molecular Properties

Compound Name2-methoxyethyl-[(4-oxo-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-yl)methyl]carbamic acid
PubChem CID136627244
Molecular FormulaC12H17N3O5
Molecular Weight283.28 g/mol
Exact Mass283.12
IUPAC Name2-methoxyethyl-[(4-oxo-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-yl)methyl]carbamic acid
SMILESCOCCN(Cc1nc2c(c(=O)[nH]1)COCC2)C(=O)O
InChIInChI=1S/C12H17N3O5/c1-19-5-3-15(12(17)18)6-10-13-9-2-4-20-7-8(9)11(16)14-10/h2-7H2,1H3,(H,17,18)(H,13,14,16)
InChIKeyUHPAENKAIUANDW-UHFFFAOYSA-N
XLogP-0.03
TPSA104.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.28
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-methoxyethyl-[(4-oxo-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-yl)methyl]carbamic acid with MolForge

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Related Compounds

tert-butyl N-(cyclopropylmethyl)-N-[(4-oxo-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-yl)methyl]carbamate
CID 136627243
2-butyl-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
CID 136696247
ethyl 4-(4-oxo-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-yl)butanoate
CID 136930792
2-(4-oxo-5,6,8,9-tetrahydro-3H-oxepino[4,5-d]pyrimidin-2-yl)acetic acid
CID 136699527
benzyl 3-(4-oxo-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-yl)propanoate
CID 148661979
2-(butan-2-ylsulfanylmethyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
CID 136696363
N-(2-methoxyethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 135842965
2-[4-(4-fluorobenzoyl)piperidin-1-yl]-N-(oxolan-2-ylmethyl)-N-[(4-oxo-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-yl)methyl]acetamide
CID 136627207
N-(1-cyclopropylethyl)-2-[4-(4-fluorobenzoyl)piperidin-1-yl]-N-[(4-oxo-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-yl)methyl]acetamide
CID 136627238
(3R)-N-(2-methoxyethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 135722298
N-(2-methoxyethyl)-1-oxo-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-3,4-dihydroisochromene-3-carboxamide
CID 135854771
methyl 2-chloro-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine-4-carboxylate
CID 131545177

Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl-[(4-oxo-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-yl)methyl]carbamic acid?
The IUPAC name of 2-methoxyethyl-[(4-oxo-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-yl)methyl]carbamic acid (CID 136627244) is 2-methoxyethyl-[(4-oxo-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-yl)methyl]carbamic acid.
What is the SMILES notation for 2-methoxyethyl-[(4-oxo-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-yl)methyl]carbamic acid?
The canonical SMILES for 2-methoxyethyl-[(4-oxo-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-yl)methyl]carbamic acid is COCCN(Cc1nc2c(c(=O)[nH]1)COCC2)C(=O)O.
What is the InChIKey of 2-methoxyethyl-[(4-oxo-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-yl)methyl]carbamic acid?
The InChIKey is UHPAENKAIUANDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O5/c1-19-5-3-15(12(17)18)6-10-13-9-2-4-20-7-8(9)11(16)14-10/h2-7H2,1H3,(H,17,18)(H,13,14,16).
What are the key properties of 2-methoxyethyl-[(4-oxo-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-yl)methyl]carbamic acid?
2-methoxyethyl-[(4-oxo-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-yl)methyl]carbamic acid has a molecular weight of 283.28 g/mol, XLogP of -0.03, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl-[(4-oxo-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-yl)methyl]carbamic acid is sourced from PubChem (CID 136627244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).