5-[[3-(dimethylamino)phenyl]methylamino]-8-hydroxy-4-methylpyrido[2,3-d]pyrimidin-7-one;5-[[3-(dimethylamino)phenyl]methylamino]-4-methyl-8-phenylmethoxypyrido[2,3-d]pyrimidin-7-one

C41H44N10O4 — CID 158848293

IUPAC5-[[3-(dimethylamino)phenyl]methylamino]-8-hydroxy-4-methylpyrido[2,3-d]pyrimidin-7-one;5-[[3-(dimethylamino)phenyl]methylamino]-4-methyl-8-phenylmethoxypyrido[2,3-d]pyrimidin-7-one
SMILESCc1ncnc2c1c(NCc1cccc(N(C)C)c1)cc(=O)n2O.Cc1ncnc2c1c(NCc1cccc(N(C)C)c1)cc(=O)n2OCc1ccccc1
InChIInChI=1S/C24H25N5O2.C17H19N5O2/c1-17-23-21(25-14-19-10-7-11-20(12-19)28(2)3)13-22(30)29(24(23)27-16-26-17)31-15-18-8-5-4-6-9-18;1-11-16-14(8-15(23)22(24)17(16)20-10-19-11)18-9-12-5-4-6-13(7-12)21(2)3/h4-13,16,25H,14-15H2,1-3H3;4-8,10,18,24H,9H2,1-3H3
InChIKeyIZCSXRUFHTVGGY-UHFFFAOYSA-N
MW740.87 g/mol
LogP5.42
Rot. Bonds11

About 5-[[3-(dimethylamino)phenyl]methylamino]-8-hydroxy-4-methylpyrido[2,3-d]pyrimidin-7-one;5-[[3-(dimethylamino)phenyl]methylamino]-4-methyl-8-phenylmethoxypyrido[2,3-d]pyrimidin-7-one

5-[[3-(dimethylamino)phenyl]methylamino]-8-hydroxy-4-methylpyrido[2,3-d]pyrimidin-7-one;5-[[3-(dimethylamino)phenyl]methylamino]-4-methyl-8-phenylmethoxypyrido[2,3-d]pyrimidin-7-one (PubChem CID 158848293) has the molecular formula C41H44N10O4 and a molecular weight of 740.87 g/mol. Its IUPAC name is 5-[[3-(dimethylamino)phenyl]methylamino]-8-hydroxy-4-methylpyrido[2,3-d]pyrimidin-7-one;5-[[3-(dimethylamino)phenyl]methylamino]-4-methyl-8-phenylmethoxypyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name5-[[3-(dimethylamino)phenyl]methylamino]-8-hydroxy-4-methylpyrido[2,3-d]pyrimidin-7-one;5-[[3-(dimethylamino)phenyl]methylamino]-4-methyl-8-phenylmethoxypyrido[2,3-d]pyrimidin-7-one
PubChem CID158848293
Molecular FormulaC41H44N10O4
Molecular Weight740.87 g/mol
Exact Mass740.35
IUPAC Name5-[[3-(dimethylamino)phenyl]methylamino]-8-hydroxy-4-methylpyrido[2,3-d]pyrimidin-7-one;5-[[3-(dimethylamino)phenyl]methylamino]-4-methyl-8-phenylmethoxypyrido[2,3-d]pyrimidin-7-one
SMILESCc1ncnc2c1c(NCc1cccc(N(C)C)c1)cc(=O)n2O.Cc1ncnc2c1c(NCc1cccc(N(C)C)c1)cc(=O)n2OCc1ccccc1
InChIInChI=1S/C24H25N5O2.C17H19N5O2/c1-17-23-21(25-14-19-10-7-11-20(12-19)28(2)3)13-22(30)29(24(23)27-16-26-17)31-15-18-8-5-4-6-9-18;1-11-16-14(8-15(23)22(24)17(16)20-10-19-11)18-9-12-5-4-6-13(7-12)21(2)3/h4-13,16,25H,14-15H2,1-3H3;4-8,10,18,24H,9H2,1-3H3
InChIKeyIZCSXRUFHTVGGY-UHFFFAOYSA-N
XLogP5.42
TPSA155.56 Ų
H-Bond Donors3
H-Bond Acceptors14
Rotatable Bonds11
Heavy Atoms55
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500740.87
LogP ≤ 55.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

Analyze 5-[[3-(dimethylamino)phenyl]methylamino]-8-hydroxy-4-methylpyrido[2,3-d]pyrimidin-7-one;5-[[3-(dimethylamino)phenyl]methylamino]-4-methyl-8-phenylmethoxypyrido[2,3-d]pyrimidin-7-one with MolForge

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Related Compounds

8-hydroxy-4-methyl-5-[(1-methylpiperidin-4-yl)methylamino]pyrido[2,3-d]pyrimidin-7-one;4-methyl-5-[(1-methylpiperidin-4-yl)methylamino]-8-phenylmethoxypyrido[2,3-d]pyrimidin-7-one
CID 157434363
5-hydroxy-4-methyl-8-phenylmethoxypyrido[2,3-d]pyrimidin-7-one;(4-methyl-7-oxo-8-phenylmethoxypyrido[2,3-d]pyrimidin-5-yl) trifluoromethanesulfonate;4-methyl-8-phenylmethoxy-5-[[6-(trifluoromethyl)-3-pyridinyl]methylamino]pyrido[2,3-d]pyrimidin-7-one
CID 159102710
5-[(4-acetamidophenyl)methylamino]-4-methyl-7-oxo-8-phenylmethoxypyrido[2,3-d]pyrimidine-6-carboxylic acid
CID 150571263
ethyl 5-[(2-fluorophenyl)methylamino]-4-methyl-7-oxo-8-phenylmethoxypyrido[2,3-d]pyrimidine-6-carboxylate;ethyl 5-hydroxy-4-methyl-7-oxo-8-phenylmethoxypyrido[2,3-d]pyrimidine-6-carboxylate;ethyl 4-methyl-7-oxo-8-phenylmethoxy-5-(trifluoromethylsulfonyloxy)pyrido[2,3-d]pyrimidine-6-carboxylate;5-[(2-fluorophenyl)methylamino]-4-methyl-8-phenylmethoxypyrido[2,3-d]pyrimidin-7-one
CID 160780162
ethyl 5-[(4-chlorophenyl)methylamino]-4-methyl-7-oxo-8-phenylmethoxypyrido[2,3-d]pyrimidine-6-carboxylate
CID 123252740
ethyl 5-hydroxy-4-methyl-7-oxo-8-phenylmethoxypyrido[2,3-d]pyrimidine-6-carboxylate;ethyl 4-methyl-5-[(2-methylphenyl)methylamino]-7-oxo-8-phenylmethoxypyrido[2,3-d]pyrimidine-6-carboxylate;ethyl 4-methyl-7-oxo-8-phenylmethoxy-5-(trifluoromethylsulfonyloxy)pyrido[2,3-d]pyrimidine-6-carboxylate;4-methyl-8-phenylmethoxy-5-[[2-(trifluoromethoxy)phenyl]methylamino]pyrido[2,3-d]pyrimidin-7-one
CID 160968510
5-[(4-bromophenyl)methylamino]-8-phenylmethoxypyrido[2,3-d]pyrimidin-7-one;8-phenylmethoxy-5-[(4-phenylphenyl)methylamino]pyrido[2,3-d]pyrimidin-7-one
CID 159495677
ethyl 5-[[6-(diethylamino)-3-pyridinyl]methylamino]-4-methyl-7-oxo-8-phenylmethoxypyrido[2,3-d]pyrimidine-6-carboxylate
CID 123210340
ethyl 4-methyl-7-oxo-8-phenylmethoxy-5-(pyridin-2-ylmethylamino)pyrido[2,3-d]pyrimidine-6-carboxylate
CID 140663987
ethyl 4-(benzylamino)-8-hydroxy-7-oxopyrido[2,3-d]pyrimidine-6-carboxylate;ethyl 4-(benzylamino)-7-oxo-8-phenylmethoxypyrido[2,3-d]pyrimidine-6-carboxylate
CID 158099982
ethyl 5-(benzylamino)-7-oxo-4-phenyl-8-phenylmethoxypyrido[2,3-d]pyrimidine-6-carboxylate
CID 140663990
1-[[3-(dimethylamino)phenyl]methyl]-3-phenylurea
CID 110472246

Frequently Asked Questions

What is the IUPAC name of 5-[[3-(dimethylamino)phenyl]methylamino]-8-hydroxy-4-methylpyrido[2,3-d]pyrimidin-7-one;5-[[3-(dimethylamino)phenyl]methylamino]-4-methyl-8-phenylmethoxypyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 5-[[3-(dimethylamino)phenyl]methylamino]-8-hydroxy-4-methylpyrido[2,3-d]pyrimidin-7-one;5-[[3-(dimethylamino)phenyl]methylamino]-4-methyl-8-phenylmethoxypyrido[2,3-d]pyrimidin-7-one (CID 158848293) is 5-[[3-(dimethylamino)phenyl]methylamino]-8-hydroxy-4-methylpyrido[2,3-d]pyrimidin-7-one;5-[[3-(dimethylamino)phenyl]methylamino]-4-methyl-8-phenylmethoxypyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 5-[[3-(dimethylamino)phenyl]methylamino]-8-hydroxy-4-methylpyrido[2,3-d]pyrimidin-7-one;5-[[3-(dimethylamino)phenyl]methylamino]-4-methyl-8-phenylmethoxypyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 5-[[3-(dimethylamino)phenyl]methylamino]-8-hydroxy-4-methylpyrido[2,3-d]pyrimidin-7-one;5-[[3-(dimethylamino)phenyl]methylamino]-4-methyl-8-phenylmethoxypyrido[2,3-d]pyrimidin-7-one is Cc1ncnc2c1c(NCc1cccc(N(C)C)c1)cc(=O)n2O.Cc1ncnc2c1c(NCc1cccc(N(C)C)c1)cc(=O)n2OCc1ccccc1.
What is the InChIKey of 5-[[3-(dimethylamino)phenyl]methylamino]-8-hydroxy-4-methylpyrido[2,3-d]pyrimidin-7-one;5-[[3-(dimethylamino)phenyl]methylamino]-4-methyl-8-phenylmethoxypyrido[2,3-d]pyrimidin-7-one?
The InChIKey is IZCSXRUFHTVGGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O2.C17H19N5O2/c1-17-23-21(25-14-19-10-7-11-20(12-19)28(2)3)13-22(30)29(24(23)27-16-26-17)31-15-18-8-5-4-6-9-18;1-11-16-14(8-15(23)22(24)17(16)20-10-19-11)18-9-12-5-4-6-13(7-12)21(2)3/h4-13,16,25H,14-15H2,1-3H3;4-8,10,18,24H,9H2,1-3H3.
What are the key properties of 5-[[3-(dimethylamino)phenyl]methylamino]-8-hydroxy-4-methylpyrido[2,3-d]pyrimidin-7-one;5-[[3-(dimethylamino)phenyl]methylamino]-4-methyl-8-phenylmethoxypyrido[2,3-d]pyrimidin-7-one?
5-[[3-(dimethylamino)phenyl]methylamino]-8-hydroxy-4-methylpyrido[2,3-d]pyrimidin-7-one;5-[[3-(dimethylamino)phenyl]methylamino]-4-methyl-8-phenylmethoxypyrido[2,3-d]pyrimidin-7-one has a molecular weight of 740.87 g/mol, XLogP of 5.42, 11 rotatable bonds, 3 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-(dimethylamino)phenyl]methylamino]-8-hydroxy-4-methylpyrido[2,3-d]pyrimidin-7-one;5-[[3-(dimethylamino)phenyl]methylamino]-4-methyl-8-phenylmethoxypyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 158848293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).