5-(2-methoxyethylamino)-3-methyl-7-[4-(methylamino)-3-methylsulfonylphenyl]pyrido[4,3-d]pyrimidin-4-one

C19H23N5O4S — CID 50923266

IUPAC5-(2-methoxyethylamino)-3-methyl-7-[4-(methylamino)-3-methylsulfonylphenyl]pyrido[4,3-d]pyrimidin-4-one
SMILESCNc1ccc(-c2cc3ncn(C)c(=O)c3c(NCCOC)n2)cc1S(C)(=O)=O
InChIInChI=1S/C19H23N5O4S/c1-20-13-6-5-12(9-16(13)29(4,26)27)14-10-15-17(19(25)24(2)11-22-15)18(23-14)21-7-8-28-3/h5-6,9-11,20H,7-8H2,1-4H3,(H,21,23)
InChIKeyMJOWVTSGZJLBJZ-UHFFFAOYSA-N
MW417.49 g/mol
LogP1.50
Rot. Bonds7

About 5-(2-methoxyethylamino)-3-methyl-7-[4-(methylamino)-3-methylsulfonylphenyl]pyrido[4,3-d]pyrimidin-4-one

5-(2-methoxyethylamino)-3-methyl-7-[4-(methylamino)-3-methylsulfonylphenyl]pyrido[4,3-d]pyrimidin-4-one (PubChem CID 50923266) has the molecular formula C19H23N5O4S and a molecular weight of 417.49 g/mol. Its IUPAC name is 5-(2-methoxyethylamino)-3-methyl-7-[4-(methylamino)-3-methylsulfonylphenyl]pyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-(2-methoxyethylamino)-3-methyl-7-[4-(methylamino)-3-methylsulfonylphenyl]pyrido[4,3-d]pyrimidin-4-one
PubChem CID50923266
Molecular FormulaC19H23N5O4S
Molecular Weight417.49 g/mol
Exact Mass417.15
IUPAC Name5-(2-methoxyethylamino)-3-methyl-7-[4-(methylamino)-3-methylsulfonylphenyl]pyrido[4,3-d]pyrimidin-4-one
SMILESCNc1ccc(-c2cc3ncn(C)c(=O)c3c(NCCOC)n2)cc1S(C)(=O)=O
InChIInChI=1S/C19H23N5O4S/c1-20-13-6-5-12(9-16(13)29(4,26)27)14-10-15-17(19(25)24(2)11-22-15)18(23-14)21-7-8-28-3/h5-6,9-11,20H,7-8H2,1-4H3,(H,21,23)
InChIKeyMJOWVTSGZJLBJZ-UHFFFAOYSA-N
XLogP1.50
TPSA115.21 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.49
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxyethylamino)-3-methyl-7-[4-(methylamino)-3-methylsulfonylphenyl]pyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 5-(2-methoxyethylamino)-3-methyl-7-[4-(methylamino)-3-methylsulfonylphenyl]pyrido[4,3-d]pyrimidin-4-one (CID 50923266) is 5-(2-methoxyethylamino)-3-methyl-7-[4-(methylamino)-3-methylsulfonylphenyl]pyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 5-(2-methoxyethylamino)-3-methyl-7-[4-(methylamino)-3-methylsulfonylphenyl]pyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 5-(2-methoxyethylamino)-3-methyl-7-[4-(methylamino)-3-methylsulfonylphenyl]pyrido[4,3-d]pyrimidin-4-one is CNc1ccc(-c2cc3ncn(C)c(=O)c3c(NCCOC)n2)cc1S(C)(=O)=O.
What is the InChIKey of 5-(2-methoxyethylamino)-3-methyl-7-[4-(methylamino)-3-methylsulfonylphenyl]pyrido[4,3-d]pyrimidin-4-one?
The InChIKey is MJOWVTSGZJLBJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O4S/c1-20-13-6-5-12(9-16(13)29(4,26)27)14-10-15-17(19(25)24(2)11-22-15)18(23-14)21-7-8-28-3/h5-6,9-11,20H,7-8H2,1-4H3,(H,21,23).
What are the key properties of 5-(2-methoxyethylamino)-3-methyl-7-[4-(methylamino)-3-methylsulfonylphenyl]pyrido[4,3-d]pyrimidin-4-one?
5-(2-methoxyethylamino)-3-methyl-7-[4-(methylamino)-3-methylsulfonylphenyl]pyrido[4,3-d]pyrimidin-4-one has a molecular weight of 417.49 g/mol, XLogP of 1.50, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxyethylamino)-3-methyl-7-[4-(methylamino)-3-methylsulfonylphenyl]pyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 50923266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).