7-(3,4-dimethoxyphenyl)-5-(2-methoxyethylamino)-3-methylpyrido[4,3-d]pyrimidin-4-one

C19H22N4O4 — CID 66959600

IUPAC7-(3,4-dimethoxyphenyl)-5-(2-methoxyethylamino)-3-methylpyrido[4,3-d]pyrimidin-4-one
SMILESCOCCNc1nc(-c2ccc(OC)c(OC)c2)cc2ncn(C)c(=O)c12
InChIInChI=1S/C19H22N4O4/c1-23-11-21-14-10-13(12-5-6-15(26-3)16(9-12)27-4)22-18(17(14)19(23)24)20-7-8-25-2/h5-6,9-11H,7-8H2,1-4H3,(H,20,22)
InChIKeyDUWJEIYPYAKQQB-UHFFFAOYSA-N
MW370.41 g/mol
LogP2.07
Rot. Bonds7

About 7-(3,4-dimethoxyphenyl)-5-(2-methoxyethylamino)-3-methylpyrido[4,3-d]pyrimidin-4-one

7-(3,4-dimethoxyphenyl)-5-(2-methoxyethylamino)-3-methylpyrido[4,3-d]pyrimidin-4-one (PubChem CID 66959600) has the molecular formula C19H22N4O4 and a molecular weight of 370.41 g/mol. Its IUPAC name is 7-(3,4-dimethoxyphenyl)-5-(2-methoxyethylamino)-3-methylpyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name7-(3,4-dimethoxyphenyl)-5-(2-methoxyethylamino)-3-methylpyrido[4,3-d]pyrimidin-4-one
PubChem CID66959600
Molecular FormulaC19H22N4O4
Molecular Weight370.41 g/mol
Exact Mass370.16
IUPAC Name7-(3,4-dimethoxyphenyl)-5-(2-methoxyethylamino)-3-methylpyrido[4,3-d]pyrimidin-4-one
SMILESCOCCNc1nc(-c2ccc(OC)c(OC)c2)cc2ncn(C)c(=O)c12
InChIInChI=1S/C19H22N4O4/c1-23-11-21-14-10-13(12-5-6-15(26-3)16(9-12)27-4)22-18(17(14)19(23)24)20-7-8-25-2/h5-6,9-11H,7-8H2,1-4H3,(H,20,22)
InChIKeyDUWJEIYPYAKQQB-UHFFFAOYSA-N
XLogP2.07
TPSA87.50 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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 7-(3,4-dimethoxyphenyl)-5-(2-methoxyethylamino)-3-methylpyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 7-(3,4-dimethoxyphenyl)-5-(2-methoxyethylamino)-3-methylpyrido[4,3-d]pyrimidin-4-one (CID 66959600) is 7-(3,4-dimethoxyphenyl)-5-(2-methoxyethylamino)-3-methylpyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 7-(3,4-dimethoxyphenyl)-5-(2-methoxyethylamino)-3-methylpyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 7-(3,4-dimethoxyphenyl)-5-(2-methoxyethylamino)-3-methylpyrido[4,3-d]pyrimidin-4-one is COCCNc1nc(-c2ccc(OC)c(OC)c2)cc2ncn(C)c(=O)c12.
What is the InChIKey of 7-(3,4-dimethoxyphenyl)-5-(2-methoxyethylamino)-3-methylpyrido[4,3-d]pyrimidin-4-one?
The InChIKey is DUWJEIYPYAKQQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O4/c1-23-11-21-14-10-13(12-5-6-15(26-3)16(9-12)27-4)22-18(17(14)19(23)24)20-7-8-25-2/h5-6,9-11H,7-8H2,1-4H3,(H,20,22).
What are the key properties of 7-(3,4-dimethoxyphenyl)-5-(2-methoxyethylamino)-3-methylpyrido[4,3-d]pyrimidin-4-one?
7-(3,4-dimethoxyphenyl)-5-(2-methoxyethylamino)-3-methylpyrido[4,3-d]pyrimidin-4-one has a molecular weight of 370.41 g/mol, XLogP of 2.07, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3,4-dimethoxyphenyl)-5-(2-methoxyethylamino)-3-methylpyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 66959600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).