5-(2-hydroxyethylamino)-3-methyl-7-(4-morpholin-4-ylphenyl)pyrido[4,3-d]pyrimidin-4-one

C20H23N5O3 — CID 66959579

IUPAC5-(2-hydroxyethylamino)-3-methyl-7-(4-morpholin-4-ylphenyl)pyrido[4,3-d]pyrimidin-4-one
SMILESCn1cnc2cc(-c3ccc(N4CCOCC4)cc3)nc(NCCO)c2c1=O
InChIInChI=1S/C20H23N5O3/c1-24-13-22-17-12-16(23-19(21-6-9-26)18(17)20(24)27)14-2-4-15(5-3-14)25-7-10-28-11-8-25/h2-5,12-13,26H,6-11H2,1H3,(H,21,23)
InChIKeyRSLRYVJKIAWADB-UHFFFAOYSA-N
MW381.44 g/mol
LogP1.24
Rot. Bonds5

About 5-(2-hydroxyethylamino)-3-methyl-7-(4-morpholin-4-ylphenyl)pyrido[4,3-d]pyrimidin-4-one

5-(2-hydroxyethylamino)-3-methyl-7-(4-morpholin-4-ylphenyl)pyrido[4,3-d]pyrimidin-4-one (PubChem CID 66959579) has the molecular formula C20H23N5O3 and a molecular weight of 381.44 g/mol. Its IUPAC name is 5-(2-hydroxyethylamino)-3-methyl-7-(4-morpholin-4-ylphenyl)pyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-(2-hydroxyethylamino)-3-methyl-7-(4-morpholin-4-ylphenyl)pyrido[4,3-d]pyrimidin-4-one
PubChem CID66959579
Molecular FormulaC20H23N5O3
Molecular Weight381.44 g/mol
Exact Mass381.18
IUPAC Name5-(2-hydroxyethylamino)-3-methyl-7-(4-morpholin-4-ylphenyl)pyrido[4,3-d]pyrimidin-4-one
SMILESCn1cnc2cc(-c3ccc(N4CCOCC4)cc3)nc(NCCO)c2c1=O
InChIInChI=1S/C20H23N5O3/c1-24-13-22-17-12-16(23-19(21-6-9-26)18(17)20(24)27)14-2-4-15(5-3-14)25-7-10-28-11-8-25/h2-5,12-13,26H,6-11H2,1H3,(H,21,23)
InChIKeyRSLRYVJKIAWADB-UHFFFAOYSA-N
XLogP1.24
TPSA92.51 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-(2-hydroxyethylamino)-3-methyl-7-(4-morpholin-4-ylphenyl)pyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 5-(2-hydroxyethylamino)-3-methyl-7-(4-morpholin-4-ylphenyl)pyrido[4,3-d]pyrimidin-4-one (CID 66959579) is 5-(2-hydroxyethylamino)-3-methyl-7-(4-morpholin-4-ylphenyl)pyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 5-(2-hydroxyethylamino)-3-methyl-7-(4-morpholin-4-ylphenyl)pyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 5-(2-hydroxyethylamino)-3-methyl-7-(4-morpholin-4-ylphenyl)pyrido[4,3-d]pyrimidin-4-one is Cn1cnc2cc(-c3ccc(N4CCOCC4)cc3)nc(NCCO)c2c1=O.
What is the InChIKey of 5-(2-hydroxyethylamino)-3-methyl-7-(4-morpholin-4-ylphenyl)pyrido[4,3-d]pyrimidin-4-one?
The InChIKey is RSLRYVJKIAWADB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O3/c1-24-13-22-17-12-16(23-19(21-6-9-26)18(17)20(24)27)14-2-4-15(5-3-14)25-7-10-28-11-8-25/h2-5,12-13,26H,6-11H2,1H3,(H,21,23).
What are the key properties of 5-(2-hydroxyethylamino)-3-methyl-7-(4-morpholin-4-ylphenyl)pyrido[4,3-d]pyrimidin-4-one?
5-(2-hydroxyethylamino)-3-methyl-7-(4-morpholin-4-ylphenyl)pyrido[4,3-d]pyrimidin-4-one has a molecular weight of 381.44 g/mol, XLogP of 1.24, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-hydroxyethylamino)-3-methyl-7-(4-morpholin-4-ylphenyl)pyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 66959579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).