3-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-6-methyl-5-phenylthieno[2,3-d]pyrimidin-4-one

C22H20N4OS — CID 9214185

IUPAC3-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-6-methyl-5-phenylthieno[2,3-d]pyrimidin-4-one
SMILESCc1sc2ncn(/N=C\c3ccc(N(C)C)cc3)c(=O)c2c1-c1ccccc1
InChIInChI=1S/C22H20N4OS/c1-15-19(17-7-5-4-6-8-17)20-21(28-15)23-14-26(22(20)27)24-13-16-9-11-18(12-10-16)25(2)3/h4-14H,1-3H3/b24-13-
InChIKeyIOBOQWQWDOINLF-CFRMEGHHSA-N
MW388.50 g/mol
LogP4.38
Rot. Bonds4

About 3-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-6-methyl-5-phenylthieno[2,3-d]pyrimidin-4-one

3-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-6-methyl-5-phenylthieno[2,3-d]pyrimidin-4-one (PubChem CID 9214185) has the molecular formula C22H20N4OS and a molecular weight of 388.50 g/mol. Its IUPAC name is 3-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-6-methyl-5-phenylthieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-6-methyl-5-phenylthieno[2,3-d]pyrimidin-4-one
PubChem CID9214185
Molecular FormulaC22H20N4OS
Molecular Weight388.50 g/mol
Exact Mass388.14
IUPAC Name3-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-6-methyl-5-phenylthieno[2,3-d]pyrimidin-4-one
SMILESCc1sc2ncn(/N=C\c3ccc(N(C)C)cc3)c(=O)c2c1-c1ccccc1
InChIInChI=1S/C22H20N4OS/c1-15-19(17-7-5-4-6-8-17)20-21(28-15)23-14-26(22(20)27)24-13-16-9-11-18(12-10-16)25(2)3/h4-14H,1-3H3/b24-13-
InChIKeyIOBOQWQWDOINLF-CFRMEGHHSA-N
XLogP4.38
TPSA50.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.50
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

3-[(E)-(4-hydroxyphenyl)methylideneamino]-6-methyl-5-phenylthieno[2,3-d]pyrimidin-4-one
CID 135558867
4-[(Z)-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)iminomethyl]benzoate
CID 9214202
6-methyl-5-phenyl-3-[(E)-pyridin-3-ylmethylideneamino]thieno[2,3-d]pyrimidin-4-one
CID 6902460
3-[(Z)-(2-ethyl-1-benzofuran-3-yl)methylideneamino]-6-methyl-5-phenylthieno[2,3-d]pyrimidin-4-one
CID 8826298
3-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]quinazolin-4-one
CID 29456276
5,6-dimethyl-3-[[4-(trifluoromethyl)phenyl]methylideneamino]thieno[2,3-d]pyrimidin-4-one
CID 2460288
(10E)-10-[[4-(dimethylamino)phenyl]methylidene]-5-methyl-4-phenyl-6-thia-1,8-diazatricyclo[7.3.0.03,7]dodeca-3(7),4,8-trien-2-one
CID 8684760
3-[(E)-(3-chlorophenyl)methylideneamino]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one
CID 42992186
3-[(2-hydroxyphenyl)methylideneamino]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one
CID 135770657
5,6-dimethyl-3-[(E)-pyridin-2-ylmethylideneamino]thieno[2,3-d]pyrimidin-4-one
CID 6863326
5,6-dimethyl-3-[(E)-(5-methylfuran-2-yl)methylideneamino]thieno[2,3-d]pyrimidin-4-one
CID 6902781
2-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)propanoic acid
CID 2792733

Frequently Asked Questions

What is the IUPAC name of 3-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-6-methyl-5-phenylthieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 3-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-6-methyl-5-phenylthieno[2,3-d]pyrimidin-4-one (CID 9214185) is 3-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-6-methyl-5-phenylthieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 3-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-6-methyl-5-phenylthieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 3-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-6-methyl-5-phenylthieno[2,3-d]pyrimidin-4-one is Cc1sc2ncn(/N=C\c3ccc(N(C)C)cc3)c(=O)c2c1-c1ccccc1.
What is the InChIKey of 3-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-6-methyl-5-phenylthieno[2,3-d]pyrimidin-4-one?
The InChIKey is IOBOQWQWDOINLF-CFRMEGHHSA-N. The full InChI is InChI=1S/C22H20N4OS/c1-15-19(17-7-5-4-6-8-17)20-21(28-15)23-14-26(22(20)27)24-13-16-9-11-18(12-10-16)25(2)3/h4-14H,1-3H3/b24-13-.
What are the key properties of 3-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-6-methyl-5-phenylthieno[2,3-d]pyrimidin-4-one?
3-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-6-methyl-5-phenylthieno[2,3-d]pyrimidin-4-one has a molecular weight of 388.50 g/mol, XLogP of 4.38, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-6-methyl-5-phenylthieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 9214185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).