2-[(4-aminoquinazolin-2-yl)methylsulfanyl]-5,6-dimethyl-3-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-one

C23H20N6OS2 — CID 55812689

IUPAC2-[(4-aminoquinazolin-2-yl)methylsulfanyl]-5,6-dimethyl-3-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-one
SMILESCc1sc2nc(SCc3nc(N)c4ccccc4n3)n(Cc3ccccn3)c(=O)c2c1C
InChIInChI=1S/C23H20N6OS2/c1-13-14(2)32-21-19(13)22(30)29(11-15-7-5-6-10-25-15)23(28-21)31-12-18-26-17-9-4-3-8-16(17)20(24)27-18/h3-10H,11-12H2,1-2H3,(H2,24,26,27)
InChIKeyVYGUYWGREWTQST-UHFFFAOYSA-N
MW460.59 g/mol
LogP4.34
Rot. Bonds5

About 2-[(4-aminoquinazolin-2-yl)methylsulfanyl]-5,6-dimethyl-3-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-one

2-[(4-aminoquinazolin-2-yl)methylsulfanyl]-5,6-dimethyl-3-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-one (PubChem CID 55812689) has the molecular formula C23H20N6OS2 and a molecular weight of 460.59 g/mol. Its IUPAC name is 2-[(4-aminoquinazolin-2-yl)methylsulfanyl]-5,6-dimethyl-3-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-[(4-aminoquinazolin-2-yl)methylsulfanyl]-5,6-dimethyl-3-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-one
PubChem CID55812689
Molecular FormulaC23H20N6OS2
Molecular Weight460.59 g/mol
Exact Mass460.11
IUPAC Name2-[(4-aminoquinazolin-2-yl)methylsulfanyl]-5,6-dimethyl-3-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-one
SMILESCc1sc2nc(SCc3nc(N)c4ccccc4n3)n(Cc3ccccn3)c(=O)c2c1C
InChIInChI=1S/C23H20N6OS2/c1-13-14(2)32-21-19(13)22(30)29(11-15-7-5-6-10-25-15)23(28-21)31-12-18-26-17-9-4-3-8-16(17)20(24)27-18/h3-10H,11-12H2,1-2H3,(H2,24,26,27)
InChIKeyVYGUYWGREWTQST-UHFFFAOYSA-N
XLogP4.34
TPSA99.58 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.59
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

5,6-dimethyl-3-(pyridin-2-ylmethyl)-2-[[4-(pyrrolidine-1-carbonyl)phenyl]methylsulfanyl]thieno[2,3-d]pyrimidin-4-one
CID 55920846
2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]-5,6-dimethyl-3-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-one
CID 55812530
10-[(4-aminoquinazolin-2-yl)methylsulfanyl]-11-propyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one
CID 27921418
2-[5,6-dimethyl-4-oxo-3-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-2-yl]sulfanyl-N-(propan-2-ylcarbamoyl)acetamide
CID 55919814
2-[5,6-dimethyl-4-oxo-3-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-2-yl]sulfanyl-N-(2-methylcyclohexyl)acetamide
CID 60549587
N-[1-(2-chlorophenyl)ethyl]-2-[5,6-dimethyl-4-oxo-3-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-2-yl]sulfanylacetamide
CID 60549540
3-ethyl-5,6-dimethyl-2-[(2-methylphenyl)methylsulfanyl]thieno[2,3-d]pyrimidin-4-one
CID 933824
2-[(4-aminoquinazolin-2-yl)methylsulfanyl]-3-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
CID 46648022
2-[(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]-7-chloro-3-(furan-2-ylmethyl)quinazolin-4-one
CID 24558182
2-[(4-ethenylphenyl)methylsulfanyl]-3-(pyridin-2-ylmethyl)quinazolin-4-one
CID 51365692
3-(furan-2-ylmethyl)-5,6-dimethyl-2-[(2-methylphenyl)methylsulfanyl]thieno[2,3-d]pyrimidin-4-one
CID 3569111
3-ethyl-2-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-one
CID 134003676

Frequently Asked Questions

What is the IUPAC name of 2-[(4-aminoquinazolin-2-yl)methylsulfanyl]-5,6-dimethyl-3-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 2-[(4-aminoquinazolin-2-yl)methylsulfanyl]-5,6-dimethyl-3-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-one (CID 55812689) is 2-[(4-aminoquinazolin-2-yl)methylsulfanyl]-5,6-dimethyl-3-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-[(4-aminoquinazolin-2-yl)methylsulfanyl]-5,6-dimethyl-3-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 2-[(4-aminoquinazolin-2-yl)methylsulfanyl]-5,6-dimethyl-3-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-one is Cc1sc2nc(SCc3nc(N)c4ccccc4n3)n(Cc3ccccn3)c(=O)c2c1C.
What is the InChIKey of 2-[(4-aminoquinazolin-2-yl)methylsulfanyl]-5,6-dimethyl-3-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-one?
The InChIKey is VYGUYWGREWTQST-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N6OS2/c1-13-14(2)32-21-19(13)22(30)29(11-15-7-5-6-10-25-15)23(28-21)31-12-18-26-17-9-4-3-8-16(17)20(24)27-18/h3-10H,11-12H2,1-2H3,(H2,24,26,27).
What are the key properties of 2-[(4-aminoquinazolin-2-yl)methylsulfanyl]-5,6-dimethyl-3-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-one?
2-[(4-aminoquinazolin-2-yl)methylsulfanyl]-5,6-dimethyl-3-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-one has a molecular weight of 460.59 g/mol, XLogP of 4.34, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-aminoquinazolin-2-yl)methylsulfanyl]-5,6-dimethyl-3-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 55812689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).