3-[(Z)-(3,5-dimethoxyphenyl)methylideneamino]-6-ethylthieno[2,3-d]pyrimidin-4-one

C17H17N3O3S — CID 9174727

IUPAC3-[(Z)-(3,5-dimethoxyphenyl)methylideneamino]-6-ethylthieno[2,3-d]pyrimidin-4-one
SMILESCCc1cc2c(=O)n(/N=C\c3cc(OC)cc(OC)c3)cnc2s1
InChIInChI=1S/C17H17N3O3S/c1-4-14-8-15-16(24-14)18-10-20(17(15)21)19-9-11-5-12(22-2)7-13(6-11)23-3/h5-10H,4H2,1-3H3/b19-9-
InChIKeyCKNSQZPHNFTLFA-OCKHKDLRSA-N
MW343.41 g/mol
LogP2.92
Rot. Bonds5

About 3-[(Z)-(3,5-dimethoxyphenyl)methylideneamino]-6-ethylthieno[2,3-d]pyrimidin-4-one

3-[(Z)-(3,5-dimethoxyphenyl)methylideneamino]-6-ethylthieno[2,3-d]pyrimidin-4-one (PubChem CID 9174727) has the molecular formula C17H17N3O3S and a molecular weight of 343.41 g/mol. Its IUPAC name is 3-[(Z)-(3,5-dimethoxyphenyl)methylideneamino]-6-ethylthieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-[(Z)-(3,5-dimethoxyphenyl)methylideneamino]-6-ethylthieno[2,3-d]pyrimidin-4-one
PubChem CID9174727
Molecular FormulaC17H17N3O3S
Molecular Weight343.41 g/mol
Exact Mass343.10
IUPAC Name3-[(Z)-(3,5-dimethoxyphenyl)methylideneamino]-6-ethylthieno[2,3-d]pyrimidin-4-one
SMILESCCc1cc2c(=O)n(/N=C\c3cc(OC)cc(OC)c3)cnc2s1
InChIInChI=1S/C17H17N3O3S/c1-4-14-8-15-16(24-14)18-10-20(17(15)21)19-9-11-5-12(22-2)7-13(6-11)23-3/h5-10H,4H2,1-3H3/b19-9-
InChIKeyCKNSQZPHNFTLFA-OCKHKDLRSA-N
XLogP2.92
TPSA65.71 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(Z)-(3,5-dimethoxyphenyl)methylideneamino]-6-ethylthieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 3-[(Z)-(3,5-dimethoxyphenyl)methylideneamino]-6-ethylthieno[2,3-d]pyrimidin-4-one (CID 9174727) is 3-[(Z)-(3,5-dimethoxyphenyl)methylideneamino]-6-ethylthieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 3-[(Z)-(3,5-dimethoxyphenyl)methylideneamino]-6-ethylthieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 3-[(Z)-(3,5-dimethoxyphenyl)methylideneamino]-6-ethylthieno[2,3-d]pyrimidin-4-one is CCc1cc2c(=O)n(/N=C\c3cc(OC)cc(OC)c3)cnc2s1.
What is the InChIKey of 3-[(Z)-(3,5-dimethoxyphenyl)methylideneamino]-6-ethylthieno[2,3-d]pyrimidin-4-one?
The InChIKey is CKNSQZPHNFTLFA-OCKHKDLRSA-N. The full InChI is InChI=1S/C17H17N3O3S/c1-4-14-8-15-16(24-14)18-10-20(17(15)21)19-9-11-5-12(22-2)7-13(6-11)23-3/h5-10H,4H2,1-3H3/b19-9-.
What are the key properties of 3-[(Z)-(3,5-dimethoxyphenyl)methylideneamino]-6-ethylthieno[2,3-d]pyrimidin-4-one?
3-[(Z)-(3,5-dimethoxyphenyl)methylideneamino]-6-ethylthieno[2,3-d]pyrimidin-4-one has a molecular weight of 343.41 g/mol, XLogP of 2.92, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(Z)-(3,5-dimethoxyphenyl)methylideneamino]-6-ethylthieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 9174727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).