4-amino-6-(2-phenyl-1-propylindol-5-yl)-7,8-dihydropyrimido[5,4-f][1,4]oxazepin-5-one;4-chloro-6-(2-phenyl-1-propylindol-5-yl)-7,8-dihydropyrimido[5,4-f][1,4]oxazepin-5-one;4,6-dichloro-N-(2-hydroxyethyl)-N-(2-phenyl-1-propylindol-5-yl)pyrimidine-5-carboxamide;methyl-oxo-sulfanylphosphanium

C73H70Cl3N13O7PS+ — CID 160827820

About 4-amino-6-(2-phenyl-1-propylindol-5-yl)-7,8-dihydropyrimido[5,4-f][1,4]oxazepin-5-one;4-chloro-6-(2-phenyl-1-propylindol-5-yl)-7,8-dihydropyrimido[5,4-f][1,4]oxazepin-5-one;4,6-dichloro-N-(2-hydroxyethyl)-N-(2-phenyl-1-propylindol-5-yl)pyrimidine-5-carboxamide;methyl-oxo-sulfanylphosphanium

4-amino-6-(2-phenyl-1-propylindol-5-yl)-7,8-dihydropyrimido[5,4-f][1,4]oxazepin-5-one;4-chloro-6-(2-phenyl-1-propylindol-5-yl)-7,8-dihydropyrimido[5,4-f][1,4]oxazepin-5-one;4,6-dichloro-N-(2-hydroxyethyl)-N-(2-phenyl-1-propylindol-5-yl)pyrimidine-5-carboxamide;methyl-oxo-sulfanylphosphanium (PubChem CID 160827820) has the molecular formula C73H70Cl3N13O7PS+ and a molecular weight of 1410.85 g/mol. Its IUPAC name is 4-amino-6-(2-phenyl-1-propylindol-5-yl)-7,8-dihydropyrimido[5,4-f][1,4]oxazepin-5-one;4-chloro-6-(2-phenyl-1-propylindol-5-yl)-7,8-dihydropyrimido[5,4-f][1,4]oxazepin-5-one;4,6-dichloro-N-(2-hydroxyethyl)-N-(2-phenyl-1-propylindol-5-yl)pyrimidine-5-carboxamide;methyl-oxo-sulfanylphosphanium.

Molecular Properties

• Compound Name: 4-amino-6-(2-phenyl-1-propylindol-5-yl)-7,8-dihydropyrimido[5,4-f][1,4]oxazepin-5-one;4-chloro-6-(2-phenyl-1-propylindol-5-yl)-7,8-dihydropyrimido[5,4-f][1,4]oxazepin-5-one;4,6-dichloro-N-(2-hydroxyethyl)-N-(2-phenyl-1-propylindol-5-yl)pyrimidine-5-carboxamide;methyl-oxo-sulfanylphosphanium
• PubChem CID: 160827820
• Molecular Formula: C73H70Cl3N13O7PS+
• Molecular Weight: 1410.85 g/mol
• Exact Mass: 1408.40
• IUPAC Name: 4-amino-6-(2-phenyl-1-propylindol-5-yl)-7,8-dihydropyrimido[5,4-f][1,4]oxazepin-5-one;4-chloro-6-(2-phenyl-1-propylindol-5-yl)-7,8-dihydropyrimido[5,4-f][1,4]oxazepin-5-one;4,6-dichloro-N-(2-hydroxyethyl)-N-(2-phenyl-1-propylindol-5-yl)pyrimidine-5-carboxamide;methyl-oxo-sulfanylphosphanium
• SMILES: CCCn1c(-c2ccccc2)cc2cc(N(CCO)C(=O)c3c(Cl)ncnc3Cl)ccc21.CCCn1c(-c2ccccc2)cc2cc(N3CCOc4ncnc(Cl)c4C3=O)ccc21.CCCn1c(-c2ccccc2)cc2cc(N3CCOc4ncnc(N)c4C3=O)ccc21.C[P+](=O)S
• InChI: InChI=1S/C24H22Cl2N4O2.C24H21ClN4O2.C24H23N5O2.CH3OPS/c1-2-10-30-19-9-8-18(13-17(19)14-20(30)16-6-4-3-5-7-16)29(11-12-31)24(32)21-22(25)27-15-28-23(21)26;2*1-2-10-29-19-9-8-18(13-17(19)14-20(29)16-6-4-3-5-7-16)28-11-12-31-23-21(24(28)30)22(25)26-15-27-23;1-3(2)4/h3-9,13-15,31H,2,10-12H2,1H3;3-9,13-15H,2,10-12H2,1H3;3-9,13-15H,2,10-12H2,1H3,(H2,25,26,27);1H3/p+1
• InChIKey: ZGAWCBJSNIFBPZ-UHFFFAOYSA-O
• XLogP: 16.07
• TPSA: 234.84 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 17
• Rotatable Bonds: 15
• Heavy Atoms: 98
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1410.85
LogP ≤ 5	16.07
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-amino-6-(2-phenyl-1-propylindol-5-yl)-7,8-dihydropyrimido[5,4-f][1,4]oxazepin-5-one;4-chloro-6-(2-phenyl-1-propylindol-5-yl)-7,8-dihydropyrimido[5,4-f][1,4]oxazepin-5-one;4,6-dichloro-N-(2-hydroxyethyl)-N-(2-phenyl-1-propylindol-5-yl)pyrimidine-5-carboxamide;methyl-oxo-sulfanylphosphanium?

The IUPAC name of 4-amino-6-(2-phenyl-1-propylindol-5-yl)-7,8-dihydropyrimido[5,4-f][1,4]oxazepin-5-one;4-chloro-6-(2-phenyl-1-propylindol-5-yl)-7,8-dihydropyrimido[5,4-f][1,4]oxazepin-5-one;4,6-dichloro-N-(2-hydroxyethyl)-N-(2-phenyl-1-propylindol-5-yl)pyrimidine-5-carboxamide;methyl-oxo-sulfanylphosphanium (CID 160827820) is 4-amino-6-(2-phenyl-1-propylindol-5-yl)-7,8-dihydropyrimido[5,4-f][1,4]oxazepin-5-one;4-chloro-6-(2-phenyl-1-propylindol-5-yl)-7,8-dihydropyrimido[5,4-f][1,4]oxazepin-5-one;4,6-dichloro-N-(2-hydroxyethyl)-N-(2-phenyl-1-propylindol-5-yl)pyrimidine-5-carboxamide;methyl-oxo-sulfanylphosphanium.

What is the SMILES notation for 4-amino-6-(2-phenyl-1-propylindol-5-yl)-7,8-dihydropyrimido[5,4-f][1,4]oxazepin-5-one;4-chloro-6-(2-phenyl-1-propylindol-5-yl)-7,8-dihydropyrimido[5,4-f][1,4]oxazepin-5-one;4,6-dichloro-N-(2-hydroxyethyl)-N-(2-phenyl-1-propylindol-5-yl)pyrimidine-5-carboxamide;methyl-oxo-sulfanylphosphanium?

The canonical SMILES for 4-amino-6-(2-phenyl-1-propylindol-5-yl)-7,8-dihydropyrimido[5,4-f][1,4]oxazepin-5-one;4-chloro-6-(2-phenyl-1-propylindol-5-yl)-7,8-dihydropyrimido[5,4-f][1,4]oxazepin-5-one;4,6-dichloro-N-(2-hydroxyethyl)-N-(2-phenyl-1-propylindol-5-yl)pyrimidine-5-carboxamide;methyl-oxo-sulfanylphosphanium is CCCn1c(-c2ccccc2)cc2cc(N(CCO)C(=O)c3c(Cl)ncnc3Cl)ccc21.CCCn1c(-c2ccccc2)cc2cc(N3CCOc4ncnc(Cl)c4C3=O)ccc21.CCCn1c(-c2ccccc2)cc2cc(N3CCOc4ncnc(N)c4C3=O)ccc21.C[P+](=O)S.

What is the InChIKey of 4-amino-6-(2-phenyl-1-propylindol-5-yl)-7,8-dihydropyrimido[5,4-f][1,4]oxazepin-5-one;4-chloro-6-(2-phenyl-1-propylindol-5-yl)-7,8-dihydropyrimido[5,4-f][1,4]oxazepin-5-one;4,6-dichloro-N-(2-hydroxyethyl)-N-(2-phenyl-1-propylindol-5-yl)pyrimidine-5-carboxamide;methyl-oxo-sulfanylphosphanium?

The InChIKey is ZGAWCBJSNIFBPZ-UHFFFAOYSA-O. The full InChI is InChI=1S/C24H22Cl2N4O2.C24H21ClN4O2.C24H23N5O2.CH3OPS/c1-2-10-30-19-9-8-18(13-17(19)14-20(30)16-6-4-3-5-7-16)29(11-12-31)24(32)21-22(25)27-15-28-23(21)26;2*1-2-10-29-19-9-8-18(13-17(19)14-20(29)16-6-4-3-5-7-16)28-11-12-31-23-21(24(28)30)22(25)26-15-27-23;1-3(2)4/h3-9,13-15,31H,2,10-12H2,1H3;3-9,13-15H,2,10-12H2,1H3;3-9,13-15H,2,10-12H2,1H3,(H2,25,26,27);1H3/p+1.

What are the key properties of 4-amino-6-(2-phenyl-1-propylindol-5-yl)-7,8-dihydropyrimido[5,4-f][1,4]oxazepin-5-one;4-chloro-6-(2-phenyl-1-propylindol-5-yl)-7,8-dihydropyrimido[5,4-f][1,4]oxazepin-5-one;4,6-dichloro-N-(2-hydroxyethyl)-N-(2-phenyl-1-propylindol-5-yl)pyrimidine-5-carboxamide;methyl-oxo-sulfanylphosphanium?

4-amino-6-(2-phenyl-1-propylindol-5-yl)-7,8-dihydropyrimido[5,4-f][1,4]oxazepin-5-one;4-chloro-6-(2-phenyl-1-propylindol-5-yl)-7,8-dihydropyrimido[5,4-f][1,4]oxazepin-5-one;4,6-dichloro-N-(2-hydroxyethyl)-N-(2-phenyl-1-propylindol-5-yl)pyrimidine-5-carboxamide;methyl-oxo-sulfanylphosphanium has a molecular weight of 1410.85 g/mol, XLogP of 16.07, 15 rotatable bonds, 3 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 4-amino-6-(2-phenyl-1-propylindol-5-yl)-7,8-dihydropyrimido[5,4-f][1,4]oxazepin-5-one;4-chloro-6-(2-phenyl-1-propylindol-5-yl)-7,8-dihydropyrimido[5,4-f][1,4]oxazepin-5-one;4,6-dichloro-N-(2-hydroxyethyl)-N-(2-phenyl-1-propylindol-5-yl)pyrimidine-5-carboxamide;methyl-oxo-sulfanylphosphanium is sourced from PubChem (CID 160827820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).