3-cyclopropyl-5-[[(E)-2-methoxyethenyl]amino]-8-methyl-1-phenylpyrido[2,3-d]pyrimidine-2,4,7-trione

C20H20N4O4 — CID 163570831

IUPAC3-cyclopropyl-5-[[(E)-2-methoxyethenyl]amino]-8-methyl-1-phenylpyrido[2,3-d]pyrimidine-2,4,7-trione
SMILESCO/C=C/Nc1cc(=O)n(C)c2c1c(=O)n(C1CC1)c(=O)n2-c1ccccc1
InChIInChI=1S/C20H20N4O4/c1-22-16(25)12-15(21-10-11-28-2)17-18(22)23(13-6-4-3-5-7-13)20(27)24(19(17)26)14-8-9-14/h3-7,10-12,14,21H,8-9H2,1-2H3/b11-10+
InChIKeyFZEQIZYUJAUIAF-ZHACJKMWSA-N
MW380.40 g/mol
LogP1.72
Rot. Bonds5

About 3-cyclopropyl-5-[[(E)-2-methoxyethenyl]amino]-8-methyl-1-phenylpyrido[2,3-d]pyrimidine-2,4,7-trione

3-cyclopropyl-5-[[(E)-2-methoxyethenyl]amino]-8-methyl-1-phenylpyrido[2,3-d]pyrimidine-2,4,7-trione (PubChem CID 163570831) has the molecular formula C20H20N4O4 and a molecular weight of 380.40 g/mol. Its IUPAC name is 3-cyclopropyl-5-[[(E)-2-methoxyethenyl]amino]-8-methyl-1-phenylpyrido[2,3-d]pyrimidine-2,4,7-trione.

Molecular Properties

Compound Name3-cyclopropyl-5-[[(E)-2-methoxyethenyl]amino]-8-methyl-1-phenylpyrido[2,3-d]pyrimidine-2,4,7-trione
PubChem CID163570831
Molecular FormulaC20H20N4O4
Molecular Weight380.40 g/mol
Exact Mass380.15
IUPAC Name3-cyclopropyl-5-[[(E)-2-methoxyethenyl]amino]-8-methyl-1-phenylpyrido[2,3-d]pyrimidine-2,4,7-trione
SMILESCO/C=C/Nc1cc(=O)n(C)c2c1c(=O)n(C1CC1)c(=O)n2-c1ccccc1
InChIInChI=1S/C20H20N4O4/c1-22-16(25)12-15(21-10-11-28-2)17-18(22)23(13-6-4-3-5-7-13)20(27)24(19(17)26)14-8-9-14/h3-7,10-12,14,21H,8-9H2,1-2H3/b11-10+
InChIKeyFZEQIZYUJAUIAF-ZHACJKMWSA-N
XLogP1.72
TPSA87.26 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.40
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-5-[[(E)-2-methoxyethenyl]amino]-8-methyl-1-phenylpyrido[2,3-d]pyrimidine-2,4,7-trione?
The IUPAC name of 3-cyclopropyl-5-[[(E)-2-methoxyethenyl]amino]-8-methyl-1-phenylpyrido[2,3-d]pyrimidine-2,4,7-trione (CID 163570831) is 3-cyclopropyl-5-[[(E)-2-methoxyethenyl]amino]-8-methyl-1-phenylpyrido[2,3-d]pyrimidine-2,4,7-trione.
What is the SMILES notation for 3-cyclopropyl-5-[[(E)-2-methoxyethenyl]amino]-8-methyl-1-phenylpyrido[2,3-d]pyrimidine-2,4,7-trione?
The canonical SMILES for 3-cyclopropyl-5-[[(E)-2-methoxyethenyl]amino]-8-methyl-1-phenylpyrido[2,3-d]pyrimidine-2,4,7-trione is CO/C=C/Nc1cc(=O)n(C)c2c1c(=O)n(C1CC1)c(=O)n2-c1ccccc1.
What is the InChIKey of 3-cyclopropyl-5-[[(E)-2-methoxyethenyl]amino]-8-methyl-1-phenylpyrido[2,3-d]pyrimidine-2,4,7-trione?
The InChIKey is FZEQIZYUJAUIAF-ZHACJKMWSA-N. The full InChI is InChI=1S/C20H20N4O4/c1-22-16(25)12-15(21-10-11-28-2)17-18(22)23(13-6-4-3-5-7-13)20(27)24(19(17)26)14-8-9-14/h3-7,10-12,14,21H,8-9H2,1-2H3/b11-10+.
What are the key properties of 3-cyclopropyl-5-[[(E)-2-methoxyethenyl]amino]-8-methyl-1-phenylpyrido[2,3-d]pyrimidine-2,4,7-trione?
3-cyclopropyl-5-[[(E)-2-methoxyethenyl]amino]-8-methyl-1-phenylpyrido[2,3-d]pyrimidine-2,4,7-trione has a molecular weight of 380.40 g/mol, XLogP of 1.72, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-5-[[(E)-2-methoxyethenyl]amino]-8-methyl-1-phenylpyrido[2,3-d]pyrimidine-2,4,7-trione is sourced from PubChem (CID 163570831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).