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

C18H19FN4O3 — CID 66959886

IUPAC7-(3-fluoro-4-methoxyphenyl)-5-(2-methoxyethylamino)-3-methylpyrido[4,3-d]pyrimidin-4-one
SMILESCOCCNc1nc(-c2ccc(OC)c(F)c2)cc2ncn(C)c(=O)c12
InChIInChI=1S/C18H19FN4O3/c1-23-10-21-14-9-13(11-4-5-15(26-3)12(19)8-11)22-17(16(14)18(23)24)20-6-7-25-2/h4-5,8-10H,6-7H2,1-3H3,(H,20,22)
InChIKeyHTMHSCCNLRQFJB-UHFFFAOYSA-N
MW358.37 g/mol
LogP2.20
Rot. Bonds6

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

7-(3-fluoro-4-methoxyphenyl)-5-(2-methoxyethylamino)-3-methylpyrido[4,3-d]pyrimidin-4-one (PubChem CID 66959886) has the molecular formula C18H19FN4O3 and a molecular weight of 358.37 g/mol. Its IUPAC name is 7-(3-fluoro-4-methoxyphenyl)-5-(2-methoxyethylamino)-3-methylpyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name7-(3-fluoro-4-methoxyphenyl)-5-(2-methoxyethylamino)-3-methylpyrido[4,3-d]pyrimidin-4-one
PubChem CID66959886
Molecular FormulaC18H19FN4O3
Molecular Weight358.37 g/mol
Exact Mass358.14
IUPAC Name7-(3-fluoro-4-methoxyphenyl)-5-(2-methoxyethylamino)-3-methylpyrido[4,3-d]pyrimidin-4-one
SMILESCOCCNc1nc(-c2ccc(OC)c(F)c2)cc2ncn(C)c(=O)c12
InChIInChI=1S/C18H19FN4O3/c1-23-10-21-14-9-13(11-4-5-15(26-3)12(19)8-11)22-17(16(14)18(23)24)20-6-7-25-2/h4-5,8-10H,6-7H2,1-3H3,(H,20,22)
InChIKeyHTMHSCCNLRQFJB-UHFFFAOYSA-N
XLogP2.20
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.37
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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-fluoro-4-methoxyphenyl)-5-(2-methoxyethylamino)-3-methylpyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 7-(3-fluoro-4-methoxyphenyl)-5-(2-methoxyethylamino)-3-methylpyrido[4,3-d]pyrimidin-4-one (CID 66959886) is 7-(3-fluoro-4-methoxyphenyl)-5-(2-methoxyethylamino)-3-methylpyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 7-(3-fluoro-4-methoxyphenyl)-5-(2-methoxyethylamino)-3-methylpyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 7-(3-fluoro-4-methoxyphenyl)-5-(2-methoxyethylamino)-3-methylpyrido[4,3-d]pyrimidin-4-one is COCCNc1nc(-c2ccc(OC)c(F)c2)cc2ncn(C)c(=O)c12.
What is the InChIKey of 7-(3-fluoro-4-methoxyphenyl)-5-(2-methoxyethylamino)-3-methylpyrido[4,3-d]pyrimidin-4-one?
The InChIKey is HTMHSCCNLRQFJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN4O3/c1-23-10-21-14-9-13(11-4-5-15(26-3)12(19)8-11)22-17(16(14)18(23)24)20-6-7-25-2/h4-5,8-10H,6-7H2,1-3H3,(H,20,22).
What are the key properties of 7-(3-fluoro-4-methoxyphenyl)-5-(2-methoxyethylamino)-3-methylpyrido[4,3-d]pyrimidin-4-one?
7-(3-fluoro-4-methoxyphenyl)-5-(2-methoxyethylamino)-3-methylpyrido[4,3-d]pyrimidin-4-one has a molecular weight of 358.37 g/mol, XLogP of 2.20, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-fluoro-4-methoxyphenyl)-5-(2-methoxyethylamino)-3-methylpyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 66959886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).