6-ethyl-3-[(Z)-naphthalen-2-ylmethylideneamino]thieno[2,3-d]pyrimidin-4-one

C19H15N3OS — CID 9174718

IUPAC6-ethyl-3-[(Z)-naphthalen-2-ylmethylideneamino]thieno[2,3-d]pyrimidin-4-one
SMILESCCc1cc2c(=O)n(/N=C\c3ccc4ccccc4c3)cnc2s1
InChIInChI=1S/C19H15N3OS/c1-2-16-10-17-18(24-16)20-12-22(19(17)23)21-11-13-7-8-14-5-3-4-6-15(14)9-13/h3-12H,2H2,1H3/b21-11-
InChIKeyWUVZIZYXCHKXSR-NHDPSOOVSA-N
MW333.42 g/mol
LogP4.06
Rot. Bonds3

About 6-ethyl-3-[(Z)-naphthalen-2-ylmethylideneamino]thieno[2,3-d]pyrimidin-4-one

6-ethyl-3-[(Z)-naphthalen-2-ylmethylideneamino]thieno[2,3-d]pyrimidin-4-one (PubChem CID 9174718) has the molecular formula C19H15N3OS and a molecular weight of 333.42 g/mol. Its IUPAC name is 6-ethyl-3-[(Z)-naphthalen-2-ylmethylideneamino]thieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-ethyl-3-[(Z)-naphthalen-2-ylmethylideneamino]thieno[2,3-d]pyrimidin-4-one
PubChem CID9174718
Molecular FormulaC19H15N3OS
Molecular Weight333.42 g/mol
Exact Mass333.09
IUPAC Name6-ethyl-3-[(Z)-naphthalen-2-ylmethylideneamino]thieno[2,3-d]pyrimidin-4-one
SMILESCCc1cc2c(=O)n(/N=C\c3ccc4ccccc4c3)cnc2s1
InChIInChI=1S/C19H15N3OS/c1-2-16-10-17-18(24-16)20-12-22(19(17)23)21-11-13-7-8-14-5-3-4-6-15(14)9-13/h3-12H,2H2,1H3/b21-11-
InChIKeyWUVZIZYXCHKXSR-NHDPSOOVSA-N
XLogP4.06
TPSA47.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.42
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-ethyl-3-[(Z)-(3-fluorophenyl)methylideneamino]thieno[2,3-d]pyrimidin-4-one
CID 7993958
3-[(Z)-(3,5-dimethoxyphenyl)methylideneamino]-6-ethylthieno[2,3-d]pyrimidin-4-one
CID 9174727
6-ethyl-3-[(Z)-(2,4,6-trimethylphenyl)methylideneamino]thieno[2,3-d]pyrimidin-4-one
CID 7951748
3-[(Z)-[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]-6-ethylthieno[2,3-d]pyrimidin-4-one
CID 9174828
6-ethyl-3-[(Z)-(2-methyl-1,3-thiazol-4-yl)methylideneamino]thieno[2,3-d]pyrimidin-4-one
CID 9174789
3-[(Z)-(1-benzyl-3,5-dimethylpyrazol-4-yl)methylideneamino]-6-ethylthieno[2,3-d]pyrimidin-4-one
CID 9174720
3-[(Z)-[4-(difluoromethoxy)-3,5-dimethoxyphenyl]methylideneamino]-6-ethylthieno[2,3-d]pyrimidin-4-one
CID 9174783
3-[(Z)-(4-chloro-2-piperidin-1-yl-1,3-thiazol-5-yl)methylideneamino]-6-ethylthieno[2,3-d]pyrimidin-4-one
CID 9231256
3-[(E)-naphthalen-2-ylmethylideneamino]-5-phenylthieno[2,3-d]pyrimidin-4-one
CID 42993564
3-[(Z)-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]methylideneamino]-6-ethylthieno[2,3-d]pyrimidin-4-one
CID 9147500
6-ethyl-3-[(E)-3-phenylprop-2-enyl]thieno[2,3-d]pyrimidin-4-one
CID 18100074
2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[(Z)-(3-methoxyphenyl)methylideneamino]acetamide
CID 5451930

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-3-[(Z)-naphthalen-2-ylmethylideneamino]thieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 6-ethyl-3-[(Z)-naphthalen-2-ylmethylideneamino]thieno[2,3-d]pyrimidin-4-one (CID 9174718) is 6-ethyl-3-[(Z)-naphthalen-2-ylmethylideneamino]thieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 6-ethyl-3-[(Z)-naphthalen-2-ylmethylideneamino]thieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 6-ethyl-3-[(Z)-naphthalen-2-ylmethylideneamino]thieno[2,3-d]pyrimidin-4-one is CCc1cc2c(=O)n(/N=C\c3ccc4ccccc4c3)cnc2s1.
What is the InChIKey of 6-ethyl-3-[(Z)-naphthalen-2-ylmethylideneamino]thieno[2,3-d]pyrimidin-4-one?
The InChIKey is WUVZIZYXCHKXSR-NHDPSOOVSA-N. The full InChI is InChI=1S/C19H15N3OS/c1-2-16-10-17-18(24-16)20-12-22(19(17)23)21-11-13-7-8-14-5-3-4-6-15(14)9-13/h3-12H,2H2,1H3/b21-11-.
What are the key properties of 6-ethyl-3-[(Z)-naphthalen-2-ylmethylideneamino]thieno[2,3-d]pyrimidin-4-one?
6-ethyl-3-[(Z)-naphthalen-2-ylmethylideneamino]thieno[2,3-d]pyrimidin-4-one has a molecular weight of 333.42 g/mol, XLogP of 4.06, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-3-[(Z)-naphthalen-2-ylmethylideneamino]thieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 9174718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).