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

C25H25N4O4P — CID 59717479

IUPAC3-cyclopropyl-5-(4-dimethylphosphorylanilino)-8-methyl-1-phenylpyrido[2,3-d]pyrimidine-2,4,7-trione
SMILESCn1c(=O)cc(Nc2ccc(P(C)(C)=O)cc2)c2c(=O)n(C3CC3)c(=O)n(-c3ccccc3)c21
InChIInChI=1S/C25H25N4O4P/c1-27-21(30)15-20(26-16-9-13-19(14-10-16)34(2,3)33)22-23(27)28(17-7-5-4-6-8-17)25(32)29(24(22)31)18-11-12-18/h4-10,13-15,18,26H,11-12H2,1-3H3
InChIKeyZXLZWWJTTXYIRC-UHFFFAOYSA-N
MW476.47 g/mol
LogP3.18
Rot. Bonds5

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

3-cyclopropyl-5-(4-dimethylphosphorylanilino)-8-methyl-1-phenylpyrido[2,3-d]pyrimidine-2,4,7-trione (PubChem CID 59717479) has the molecular formula C25H25N4O4P and a molecular weight of 476.47 g/mol. Its IUPAC name is 3-cyclopropyl-5-(4-dimethylphosphorylanilino)-8-methyl-1-phenylpyrido[2,3-d]pyrimidine-2,4,7-trione.

Molecular Properties

Compound Name3-cyclopropyl-5-(4-dimethylphosphorylanilino)-8-methyl-1-phenylpyrido[2,3-d]pyrimidine-2,4,7-trione
PubChem CID59717479
Molecular FormulaC25H25N4O4P
Molecular Weight476.47 g/mol
Exact Mass476.16
IUPAC Name3-cyclopropyl-5-(4-dimethylphosphorylanilino)-8-methyl-1-phenylpyrido[2,3-d]pyrimidine-2,4,7-trione
SMILESCn1c(=O)cc(Nc2ccc(P(C)(C)=O)cc2)c2c(=O)n(C3CC3)c(=O)n(-c3ccccc3)c21
InChIInChI=1S/C25H25N4O4P/c1-27-21(30)15-20(26-16-9-13-19(14-10-16)34(2,3)33)22-23(27)28(17-7-5-4-6-8-17)25(32)29(24(22)31)18-11-12-18/h4-10,13-15,18,26H,11-12H2,1-3H3
InChIKeyZXLZWWJTTXYIRC-UHFFFAOYSA-N
XLogP3.18
TPSA95.10 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.47
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-5-(4-dimethylphosphorylanilino)-8-methyl-1-phenylpyrido[2,3-d]pyrimidine-2,4,7-trione?
The IUPAC name of 3-cyclopropyl-5-(4-dimethylphosphorylanilino)-8-methyl-1-phenylpyrido[2,3-d]pyrimidine-2,4,7-trione (CID 59717479) is 3-cyclopropyl-5-(4-dimethylphosphorylanilino)-8-methyl-1-phenylpyrido[2,3-d]pyrimidine-2,4,7-trione.
What is the SMILES notation for 3-cyclopropyl-5-(4-dimethylphosphorylanilino)-8-methyl-1-phenylpyrido[2,3-d]pyrimidine-2,4,7-trione?
The canonical SMILES for 3-cyclopropyl-5-(4-dimethylphosphorylanilino)-8-methyl-1-phenylpyrido[2,3-d]pyrimidine-2,4,7-trione is Cn1c(=O)cc(Nc2ccc(P(C)(C)=O)cc2)c2c(=O)n(C3CC3)c(=O)n(-c3ccccc3)c21.
What is the InChIKey of 3-cyclopropyl-5-(4-dimethylphosphorylanilino)-8-methyl-1-phenylpyrido[2,3-d]pyrimidine-2,4,7-trione?
The InChIKey is ZXLZWWJTTXYIRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N4O4P/c1-27-21(30)15-20(26-16-9-13-19(14-10-16)34(2,3)33)22-23(27)28(17-7-5-4-6-8-17)25(32)29(24(22)31)18-11-12-18/h4-10,13-15,18,26H,11-12H2,1-3H3.
What are the key properties of 3-cyclopropyl-5-(4-dimethylphosphorylanilino)-8-methyl-1-phenylpyrido[2,3-d]pyrimidine-2,4,7-trione?
3-cyclopropyl-5-(4-dimethylphosphorylanilino)-8-methyl-1-phenylpyrido[2,3-d]pyrimidine-2,4,7-trione has a molecular weight of 476.47 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-5-(4-dimethylphosphorylanilino)-8-methyl-1-phenylpyrido[2,3-d]pyrimidine-2,4,7-trione is sourced from PubChem (CID 59717479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).