3-methyl-6-[4-(morpholine-4-carbonyl)phenyl]-2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidin-4-one

C24H23N5O3S — CID 46942969

IUPAC3-methyl-6-[4-(morpholine-4-carbonyl)phenyl]-2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidin-4-one
SMILESCn1c(NCc2cccnc2)nc2cc(-c3ccc(C(=O)N4CCOCC4)cc3)sc2c1=O
InChIInChI=1S/C24H23N5O3S/c1-28-23(31)21-19(27-24(28)26-15-16-3-2-8-25-14-16)13-20(33-21)17-4-6-18(7-5-17)22(30)29-9-11-32-12-10-29/h2-8,13-14H,9-12,15H2,1H3,(H,26,27)
InChIKeyUVTUGWFVJVONNL-UHFFFAOYSA-N
MW461.55 g/mol
LogP3.14
Rot. Bonds5

About 3-methyl-6-[4-(morpholine-4-carbonyl)phenyl]-2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidin-4-one

3-methyl-6-[4-(morpholine-4-carbonyl)phenyl]-2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidin-4-one (PubChem CID 46942969) has the molecular formula C24H23N5O3S and a molecular weight of 461.55 g/mol. Its IUPAC name is 3-methyl-6-[4-(morpholine-4-carbonyl)phenyl]-2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-methyl-6-[4-(morpholine-4-carbonyl)phenyl]-2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidin-4-one
PubChem CID46942969
Molecular FormulaC24H23N5O3S
Molecular Weight461.55 g/mol
Exact Mass461.15
IUPAC Name3-methyl-6-[4-(morpholine-4-carbonyl)phenyl]-2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidin-4-one
SMILESCn1c(NCc2cccnc2)nc2cc(-c3ccc(C(=O)N4CCOCC4)cc3)sc2c1=O
InChIInChI=1S/C24H23N5O3S/c1-28-23(31)21-19(27-24(28)26-15-16-3-2-8-25-14-16)13-20(33-21)17-4-6-18(7-5-17)22(30)29-9-11-32-12-10-29/h2-8,13-14H,9-12,15H2,1H3,(H,26,27)
InChIKeyUVTUGWFVJVONNL-UHFFFAOYSA-N
XLogP3.14
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.55
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-[4-(morpholine-4-carbonyl)phenyl]-2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 3-methyl-6-[4-(morpholine-4-carbonyl)phenyl]-2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidin-4-one (CID 46942969) is 3-methyl-6-[4-(morpholine-4-carbonyl)phenyl]-2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 3-methyl-6-[4-(morpholine-4-carbonyl)phenyl]-2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 3-methyl-6-[4-(morpholine-4-carbonyl)phenyl]-2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidin-4-one is Cn1c(NCc2cccnc2)nc2cc(-c3ccc(C(=O)N4CCOCC4)cc3)sc2c1=O.
What is the InChIKey of 3-methyl-6-[4-(morpholine-4-carbonyl)phenyl]-2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidin-4-one?
The InChIKey is UVTUGWFVJVONNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O3S/c1-28-23(31)21-19(27-24(28)26-15-16-3-2-8-25-14-16)13-20(33-21)17-4-6-18(7-5-17)22(30)29-9-11-32-12-10-29/h2-8,13-14H,9-12,15H2,1H3,(H,26,27).
What are the key properties of 3-methyl-6-[4-(morpholine-4-carbonyl)phenyl]-2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidin-4-one?
3-methyl-6-[4-(morpholine-4-carbonyl)phenyl]-2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidin-4-one has a molecular weight of 461.55 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-[4-(morpholine-4-carbonyl)phenyl]-2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 46942969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).