ethyl (5S)-7-amino-5-(2,4-dimethoxyphenyl)-1,3-dimethyl-2,4-dioxo-5H-pyrano[2,3-d]pyrimidine-6-carboxylate

C20H23N3O7 — CID 8614079

IUPACethyl (5S)-7-amino-5-(2,4-dimethoxyphenyl)-1,3-dimethyl-2,4-dioxo-5H-pyrano[2,3-d]pyrimidine-6-carboxylate
SMILESCCOC(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@@H]1c1ccc(OC)cc1OC
InChIInChI=1S/C20H23N3O7/c1-6-29-19(25)14-13(11-8-7-10(27-4)9-12(11)28-5)15-17(24)22(2)20(26)23(3)18(15)30-16(14)21/h7-9,13H,6,21H2,1-5H3/t13-/m1/s1
InChIKeyQXEUMHZXLRPTMI-CYBMUJFWSA-N
MW417.42 g/mol
LogP0.36
Rot. Bonds5

About ethyl (5S)-7-amino-5-(2,4-dimethoxyphenyl)-1,3-dimethyl-2,4-dioxo-5H-pyrano[2,3-d]pyrimidine-6-carboxylate

ethyl (5S)-7-amino-5-(2,4-dimethoxyphenyl)-1,3-dimethyl-2,4-dioxo-5H-pyrano[2,3-d]pyrimidine-6-carboxylate (PubChem CID 8614079) has the molecular formula C20H23N3O7 and a molecular weight of 417.42 g/mol. Its IUPAC name is ethyl (5S)-7-amino-5-(2,4-dimethoxyphenyl)-1,3-dimethyl-2,4-dioxo-5H-pyrano[2,3-d]pyrimidine-6-carboxylate.

Molecular Properties

Compound Nameethyl (5S)-7-amino-5-(2,4-dimethoxyphenyl)-1,3-dimethyl-2,4-dioxo-5H-pyrano[2,3-d]pyrimidine-6-carboxylate
PubChem CID8614079
Molecular FormulaC20H23N3O7
Molecular Weight417.42 g/mol
Exact Mass417.15
IUPAC Nameethyl (5S)-7-amino-5-(2,4-dimethoxyphenyl)-1,3-dimethyl-2,4-dioxo-5H-pyrano[2,3-d]pyrimidine-6-carboxylate
SMILESCCOC(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@@H]1c1ccc(OC)cc1OC
InChIInChI=1S/C20H23N3O7/c1-6-29-19(25)14-13(11-8-7-10(27-4)9-12(11)28-5)15-17(24)22(2)20(26)23(3)18(15)30-16(14)21/h7-9,13H,6,21H2,1-5H3/t13-/m1/s1
InChIKeyQXEUMHZXLRPTMI-CYBMUJFWSA-N
XLogP0.36
TPSA124.01 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.42
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Related Compounds

ethyl 2-amino-4-(2,4-dimethoxyphenyl)-7-methyl-5-oxo-4,6-dihydropyrano[3,2-c]pyridine-3-carboxylate
CID 23475077
ethyl (4S)-2-amino-4-(2,4-dimethoxyphenyl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carboxylate
CID 1019693
ethyl (4S)-6-amino-5-cyano-4-(2,4-dimethoxyphenyl)-2-methyl-4H-pyran-3-carboxylate
CID 777256
(5R)-5-(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-7-methoxy-1,3-dimethyl-5H-chromeno[2,3-d]pyrimidine-2,4-dione
CID 40977708
ethyl (4S)-2-amino-4-(2,5-dimethoxyphenyl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carboxylate
CID 985592
7-amino-5-(2-methoxyphenyl)-1,3-dimethyl-2,4-dioxo-5H-pyrano[2,3-d]pyrimidine-6-carbonitrile
CID 139241869
5-(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-9-methoxy-1,3-dimethyl-5H-chromeno[2,3-d]pyrimidine-2,4-dione
CID 4974461
methyl 2-amino-4-(2-methoxyphenyl)-6,7-dimethyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carboxylate
CID 5172147
diethyl 2-amino-4-(2-methoxyphenyl)-6-methyl-4H-pyran-3,5-dicarboxylate
CID 23826620
ethyl (4R)-4-(2,4-dimethoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 675136
diethyl 4-(2,4-dimethoxyphenyl)-1-(4-fluorophenyl)-4H-pyridine-3,5-dicarboxylate
CID 1256072
methyl 2-amino-4-(2-methoxyphenyl)-6-methyl-5-oxo-7-propyl-4H-pyrano[3,2-c]pyridine-3-carboxylate
CID 23475784

Frequently Asked Questions

What is the IUPAC name of ethyl (5S)-7-amino-5-(2,4-dimethoxyphenyl)-1,3-dimethyl-2,4-dioxo-5H-pyrano[2,3-d]pyrimidine-6-carboxylate?
The IUPAC name of ethyl (5S)-7-amino-5-(2,4-dimethoxyphenyl)-1,3-dimethyl-2,4-dioxo-5H-pyrano[2,3-d]pyrimidine-6-carboxylate (CID 8614079) is ethyl (5S)-7-amino-5-(2,4-dimethoxyphenyl)-1,3-dimethyl-2,4-dioxo-5H-pyrano[2,3-d]pyrimidine-6-carboxylate.
What is the SMILES notation for ethyl (5S)-7-amino-5-(2,4-dimethoxyphenyl)-1,3-dimethyl-2,4-dioxo-5H-pyrano[2,3-d]pyrimidine-6-carboxylate?
The canonical SMILES for ethyl (5S)-7-amino-5-(2,4-dimethoxyphenyl)-1,3-dimethyl-2,4-dioxo-5H-pyrano[2,3-d]pyrimidine-6-carboxylate is CCOC(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@@H]1c1ccc(OC)cc1OC.
What is the InChIKey of ethyl (5S)-7-amino-5-(2,4-dimethoxyphenyl)-1,3-dimethyl-2,4-dioxo-5H-pyrano[2,3-d]pyrimidine-6-carboxylate?
The InChIKey is QXEUMHZXLRPTMI-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H23N3O7/c1-6-29-19(25)14-13(11-8-7-10(27-4)9-12(11)28-5)15-17(24)22(2)20(26)23(3)18(15)30-16(14)21/h7-9,13H,6,21H2,1-5H3/t13-/m1/s1.
What are the key properties of ethyl (5S)-7-amino-5-(2,4-dimethoxyphenyl)-1,3-dimethyl-2,4-dioxo-5H-pyrano[2,3-d]pyrimidine-6-carboxylate?
ethyl (5S)-7-amino-5-(2,4-dimethoxyphenyl)-1,3-dimethyl-2,4-dioxo-5H-pyrano[2,3-d]pyrimidine-6-carboxylate has a molecular weight of 417.42 g/mol, XLogP of 0.36, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (5S)-7-amino-5-(2,4-dimethoxyphenyl)-1,3-dimethyl-2,4-dioxo-5H-pyrano[2,3-d]pyrimidine-6-carboxylate is sourced from PubChem (CID 8614079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).