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

C18H19N3O7 — CID 23736595

IUPACethyl 7-amino-5-(3,4-dimethoxyphenyl)-2,4-dioxo-1,5-dihydropyrano[2,3-d]pyrimidine-6-carboxylate
SMILESCCOC(=O)C1=C(N)Oc2[nH]c(=O)[nH]c(=O)c2C1c1ccc(OC)c(OC)c1
InChIInChI=1S/C18H19N3O7/c1-4-27-17(23)12-11(8-5-6-9(25-2)10(7-8)26-3)13-15(22)20-18(24)21-16(13)28-14(12)19/h5-7,11H,4,19H2,1-3H3,(H2,20,21,22,24)
InChIKeyUHNRLYVYCXTXTM-UHFFFAOYSA-N
MW389.36 g/mol
LogP0.34
Rot. Bonds5

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

ethyl 7-amino-5-(3,4-dimethoxyphenyl)-2,4-dioxo-1,5-dihydropyrano[2,3-d]pyrimidine-6-carboxylate (PubChem CID 23736595) has the molecular formula C18H19N3O7 and a molecular weight of 389.36 g/mol. Its IUPAC name is ethyl 7-amino-5-(3,4-dimethoxyphenyl)-2,4-dioxo-1,5-dihydropyrano[2,3-d]pyrimidine-6-carboxylate.

Molecular Properties

Compound Nameethyl 7-amino-5-(3,4-dimethoxyphenyl)-2,4-dioxo-1,5-dihydropyrano[2,3-d]pyrimidine-6-carboxylate
PubChem CID23736595
Molecular FormulaC18H19N3O7
Molecular Weight389.36 g/mol
Exact Mass389.12
IUPAC Nameethyl 7-amino-5-(3,4-dimethoxyphenyl)-2,4-dioxo-1,5-dihydropyrano[2,3-d]pyrimidine-6-carboxylate
SMILESCCOC(=O)C1=C(N)Oc2[nH]c(=O)[nH]c(=O)c2C1c1ccc(OC)c(OC)c1
InChIInChI=1S/C18H19N3O7/c1-4-27-17(23)12-11(8-5-6-9(25-2)10(7-8)26-3)13-15(22)20-18(24)21-16(13)28-14(12)19/h5-7,11H,4,19H2,1-3H3,(H2,20,21,22,24)
InChIKeyUHNRLYVYCXTXTM-UHFFFAOYSA-N
XLogP0.34
TPSA145.73 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.36
LogP ≤ 50.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze ethyl 7-amino-5-(3,4-dimethoxyphenyl)-2,4-dioxo-1,5-dihydropyrano[2,3-d]pyrimidine-6-carboxylate with MolForge

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Related Compounds

ethyl 7-amino-2,4-dioxo-5-phenyl-1,5-dihydropyrano[2,3-d]pyrimidine-6-carboxylate
CID 4160314
ethyl (4S)-2-amino-5-oxo-4-(3,4,5-trimethoxyphenyl)-4,6-dihydropyrano[3,2-c]quinoline-3-carboxylate
CID 40963682
ethyl 7-amino-5-(2-nitrophenyl)-2,4-dioxo-1,5-dihydropyrano[2,3-d]pyrimidine-6-carboxylate
CID 23961714
ethyl 2-amino-4-(3,4-dimethoxyphenyl)-6-ethyl-5-oxo-7-propyl-4H-pyrano[3,2-c]pyridine-3-carboxylate
CID 23475837
ethyl (4S)-2-amino-4-(4-methoxyphenyl)-5-oxo-4,6-dihydropyrano[3,2-c]quinoline-3-carboxylate
CID 1426600
ethyl (4R)-2-amino-4-(3-methoxyphenyl)-5-oxo-4,6-dihydropyrano[3,2-c]quinoline-3-carboxylate
CID 27521655
ethyl (4R)-2-amino-4-(3,4-dihydroxyphenyl)-5-oxo-4,6-dihydropyrano[3,2-c]quinoline-3-carboxylate
CID 26183237
ethyl 2-amino-7-methyl-5-oxo-4-pyridin-4-yl-4,6-dihydropyrano[3,2-c]pyridine-3-carboxylate
CID 667149
ethyl (4R)-5-acetyl-2-amino-4-(3-bromo-4-methoxyphenyl)-6-methyl-4H-pyran-3-carboxylate
CID 8613836
ethyl (4R)-2-amino-7-methyl-5-oxo-4-phenyl-4,6-dihydropyrano[3,2-c]pyridine-3-carboxylate
CID 7184062
ethyl 2-amino-4-(4-methoxyphenyl)-7-methyl-5-oxo-4,6-dihydropyrano[3,2-c]quinoline-3-carboxylate
CID 3800977
ethyl (4S)-2-amino-4-(4-methoxyphenyl)-7-methyl-5-oxo-4,6-dihydropyrano[3,2-c]quinoline-3-carboxylate
CID 1427519

Frequently Asked Questions

What is the IUPAC name of ethyl 7-amino-5-(3,4-dimethoxyphenyl)-2,4-dioxo-1,5-dihydropyrano[2,3-d]pyrimidine-6-carboxylate?
The IUPAC name of ethyl 7-amino-5-(3,4-dimethoxyphenyl)-2,4-dioxo-1,5-dihydropyrano[2,3-d]pyrimidine-6-carboxylate (CID 23736595) is ethyl 7-amino-5-(3,4-dimethoxyphenyl)-2,4-dioxo-1,5-dihydropyrano[2,3-d]pyrimidine-6-carboxylate.
What is the SMILES notation for ethyl 7-amino-5-(3,4-dimethoxyphenyl)-2,4-dioxo-1,5-dihydropyrano[2,3-d]pyrimidine-6-carboxylate?
The canonical SMILES for ethyl 7-amino-5-(3,4-dimethoxyphenyl)-2,4-dioxo-1,5-dihydropyrano[2,3-d]pyrimidine-6-carboxylate is CCOC(=O)C1=C(N)Oc2[nH]c(=O)[nH]c(=O)c2C1c1ccc(OC)c(OC)c1.
What is the InChIKey of ethyl 7-amino-5-(3,4-dimethoxyphenyl)-2,4-dioxo-1,5-dihydropyrano[2,3-d]pyrimidine-6-carboxylate?
The InChIKey is UHNRLYVYCXTXTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O7/c1-4-27-17(23)12-11(8-5-6-9(25-2)10(7-8)26-3)13-15(22)20-18(24)21-16(13)28-14(12)19/h5-7,11H,4,19H2,1-3H3,(H2,20,21,22,24).
What are the key properties of ethyl 7-amino-5-(3,4-dimethoxyphenyl)-2,4-dioxo-1,5-dihydropyrano[2,3-d]pyrimidine-6-carboxylate?
ethyl 7-amino-5-(3,4-dimethoxyphenyl)-2,4-dioxo-1,5-dihydropyrano[2,3-d]pyrimidine-6-carboxylate has a molecular weight of 389.36 g/mol, XLogP of 0.34, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-amino-5-(3,4-dimethoxyphenyl)-2,4-dioxo-1,5-dihydropyrano[2,3-d]pyrimidine-6-carboxylate is sourced from PubChem (CID 23736595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).