5-(2-methoxyethylamino)-3-methyl-7-[4-[(2R)-2-methylmorpholin-4-yl]phenyl]pyrido[4,3-d]pyrimidin-4-one

C22H27N5O3 — CID 50923114

IUPAC5-(2-methoxyethylamino)-3-methyl-7-[4-[(2R)-2-methylmorpholin-4-yl]phenyl]pyrido[4,3-d]pyrimidin-4-one
SMILESCOCCNc1nc(-c2ccc(N3CCO[C@H](C)C3)cc2)cc2ncn(C)c(=O)c12
InChIInChI=1S/C22H27N5O3/c1-15-13-27(9-11-30-15)17-6-4-16(5-7-17)18-12-19-20(22(28)26(2)14-24-19)21(25-18)23-8-10-29-3/h4-7,12,14-15H,8-11,13H2,1-3H3,(H,23,25)/t15-/m1/s1
InChIKeyQUAKMLDDXYVWFX-OAHLLOKOSA-N
MW409.49 g/mol
LogP2.28
Rot. Bonds6

About 5-(2-methoxyethylamino)-3-methyl-7-[4-[(2R)-2-methylmorpholin-4-yl]phenyl]pyrido[4,3-d]pyrimidin-4-one

5-(2-methoxyethylamino)-3-methyl-7-[4-[(2R)-2-methylmorpholin-4-yl]phenyl]pyrido[4,3-d]pyrimidin-4-one (PubChem CID 50923114) has the molecular formula C22H27N5O3 and a molecular weight of 409.49 g/mol. Its IUPAC name is 5-(2-methoxyethylamino)-3-methyl-7-[4-[(2R)-2-methylmorpholin-4-yl]phenyl]pyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-(2-methoxyethylamino)-3-methyl-7-[4-[(2R)-2-methylmorpholin-4-yl]phenyl]pyrido[4,3-d]pyrimidin-4-one
PubChem CID50923114
Molecular FormulaC22H27N5O3
Molecular Weight409.49 g/mol
Exact Mass409.21
IUPAC Name5-(2-methoxyethylamino)-3-methyl-7-[4-[(2R)-2-methylmorpholin-4-yl]phenyl]pyrido[4,3-d]pyrimidin-4-one
SMILESCOCCNc1nc(-c2ccc(N3CCO[C@H](C)C3)cc2)cc2ncn(C)c(=O)c12
InChIInChI=1S/C22H27N5O3/c1-15-13-27(9-11-30-15)17-6-4-16(5-7-17)18-12-19-20(22(28)26(2)14-24-19)21(25-18)23-8-10-29-3/h4-7,12,14-15H,8-11,13H2,1-3H3,(H,23,25)/t15-/m1/s1
InChIKeyQUAKMLDDXYVWFX-OAHLLOKOSA-N
XLogP2.28
TPSA81.51 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 52.28
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 5-(2-methoxyethylamino)-3-methyl-7-[4-[(2R)-2-methylmorpholin-4-yl]phenyl]pyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 5-(2-methoxyethylamino)-3-methyl-7-[4-[(2R)-2-methylmorpholin-4-yl]phenyl]pyrido[4,3-d]pyrimidin-4-one (CID 50923114) is 5-(2-methoxyethylamino)-3-methyl-7-[4-[(2R)-2-methylmorpholin-4-yl]phenyl]pyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 5-(2-methoxyethylamino)-3-methyl-7-[4-[(2R)-2-methylmorpholin-4-yl]phenyl]pyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 5-(2-methoxyethylamino)-3-methyl-7-[4-[(2R)-2-methylmorpholin-4-yl]phenyl]pyrido[4,3-d]pyrimidin-4-one is COCCNc1nc(-c2ccc(N3CCO[C@H](C)C3)cc2)cc2ncn(C)c(=O)c12.
What is the InChIKey of 5-(2-methoxyethylamino)-3-methyl-7-[4-[(2R)-2-methylmorpholin-4-yl]phenyl]pyrido[4,3-d]pyrimidin-4-one?
The InChIKey is QUAKMLDDXYVWFX-OAHLLOKOSA-N. The full InChI is InChI=1S/C22H27N5O3/c1-15-13-27(9-11-30-15)17-6-4-16(5-7-17)18-12-19-20(22(28)26(2)14-24-19)21(25-18)23-8-10-29-3/h4-7,12,14-15H,8-11,13H2,1-3H3,(H,23,25)/t15-/m1/s1.
What are the key properties of 5-(2-methoxyethylamino)-3-methyl-7-[4-[(2R)-2-methylmorpholin-4-yl]phenyl]pyrido[4,3-d]pyrimidin-4-one?
5-(2-methoxyethylamino)-3-methyl-7-[4-[(2R)-2-methylmorpholin-4-yl]phenyl]pyrido[4,3-d]pyrimidin-4-one has a molecular weight of 409.49 g/mol, XLogP of 2.28, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxyethylamino)-3-methyl-7-[4-[(2R)-2-methylmorpholin-4-yl]phenyl]pyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 50923114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).