3-methyl-7-(4-morpholin-4-ylphenyl)-5-(1,3-thiazol-2-ylamino)pyrido[4,3-d]pyrimidin-4-one

C21H20N6O2S — CID 87215263

IUPAC3-methyl-7-(4-morpholin-4-ylphenyl)-5-(1,3-thiazol-2-ylamino)pyrido[4,3-d]pyrimidin-4-one
SMILESCn1cnc2cc(-c3ccc(N4CCOCC4)cc3)nc(Nc3nccs3)c2c1=O
InChIInChI=1S/C21H20N6O2S/c1-26-13-23-17-12-16(14-2-4-15(5-3-14)27-7-9-29-10-8-27)24-19(18(17)20(26)28)25-21-22-6-11-30-21/h2-6,11-13H,7-10H2,1H3,(H,22,24,25)
InChIKeyMVTUMDDFBGJFLE-UHFFFAOYSA-N
MW420.50 g/mol
LogP3.03
Rot. Bonds4

About 3-methyl-7-(4-morpholin-4-ylphenyl)-5-(1,3-thiazol-2-ylamino)pyrido[4,3-d]pyrimidin-4-one

3-methyl-7-(4-morpholin-4-ylphenyl)-5-(1,3-thiazol-2-ylamino)pyrido[4,3-d]pyrimidin-4-one (PubChem CID 87215263) has the molecular formula C21H20N6O2S and a molecular weight of 420.50 g/mol. Its IUPAC name is 3-methyl-7-(4-morpholin-4-ylphenyl)-5-(1,3-thiazol-2-ylamino)pyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-methyl-7-(4-morpholin-4-ylphenyl)-5-(1,3-thiazol-2-ylamino)pyrido[4,3-d]pyrimidin-4-one
PubChem CID87215263
Molecular FormulaC21H20N6O2S
Molecular Weight420.50 g/mol
Exact Mass420.14
IUPAC Name3-methyl-7-(4-morpholin-4-ylphenyl)-5-(1,3-thiazol-2-ylamino)pyrido[4,3-d]pyrimidin-4-one
SMILESCn1cnc2cc(-c3ccc(N4CCOCC4)cc3)nc(Nc3nccs3)c2c1=O
InChIInChI=1S/C21H20N6O2S/c1-26-13-23-17-12-16(14-2-4-15(5-3-14)27-7-9-29-10-8-27)24-19(18(17)20(26)28)25-21-22-6-11-30-21/h2-6,11-13H,7-10H2,1H3,(H,22,24,25)
InChIKeyMVTUMDDFBGJFLE-UHFFFAOYSA-N
XLogP3.03
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.50
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-7-(4-morpholin-4-ylphenyl)-5-(1,3-thiazol-2-ylamino)pyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 3-methyl-7-(4-morpholin-4-ylphenyl)-5-(1,3-thiazol-2-ylamino)pyrido[4,3-d]pyrimidin-4-one (CID 87215263) is 3-methyl-7-(4-morpholin-4-ylphenyl)-5-(1,3-thiazol-2-ylamino)pyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 3-methyl-7-(4-morpholin-4-ylphenyl)-5-(1,3-thiazol-2-ylamino)pyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 3-methyl-7-(4-morpholin-4-ylphenyl)-5-(1,3-thiazol-2-ylamino)pyrido[4,3-d]pyrimidin-4-one is Cn1cnc2cc(-c3ccc(N4CCOCC4)cc3)nc(Nc3nccs3)c2c1=O.
What is the InChIKey of 3-methyl-7-(4-morpholin-4-ylphenyl)-5-(1,3-thiazol-2-ylamino)pyrido[4,3-d]pyrimidin-4-one?
The InChIKey is MVTUMDDFBGJFLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O2S/c1-26-13-23-17-12-16(14-2-4-15(5-3-14)27-7-9-29-10-8-27)24-19(18(17)20(26)28)25-21-22-6-11-30-21/h2-6,11-13H,7-10H2,1H3,(H,22,24,25).
What are the key properties of 3-methyl-7-(4-morpholin-4-ylphenyl)-5-(1,3-thiazol-2-ylamino)pyrido[4,3-d]pyrimidin-4-one?
3-methyl-7-(4-morpholin-4-ylphenyl)-5-(1,3-thiazol-2-ylamino)pyrido[4,3-d]pyrimidin-4-one has a molecular weight of 420.50 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-7-(4-morpholin-4-ylphenyl)-5-(1,3-thiazol-2-ylamino)pyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 87215263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).