6-benzyl-N-[(E)-(3-methylthiophen-2-yl)methylideneamino]thieno[2,3-d]pyrimidin-4-amine

C19H16N4S2 — CID 10215659

IUPAC6-benzyl-N-[(E)-(3-methylthiophen-2-yl)methylideneamino]thieno[2,3-d]pyrimidin-4-amine
SMILESCc1ccsc1/C=N/Nc1ncnc2sc(Cc3ccccc3)cc12
InChIInChI=1S/C19H16N4S2/c1-13-7-8-24-17(13)11-22-23-18-16-10-15(25-19(16)21-12-20-18)9-14-5-3-2-4-6-14/h2-8,10-12H,9H2,1H3,(H,20,21,23)/b22-11+
InChIKeyBDAURYFYAMPNOH-SSDVNMTOSA-N
MW364.50 g/mol
LogP5.10
Rot. Bonds5

About 6-benzyl-N-[(E)-(3-methylthiophen-2-yl)methylideneamino]thieno[2,3-d]pyrimidin-4-amine

6-benzyl-N-[(E)-(3-methylthiophen-2-yl)methylideneamino]thieno[2,3-d]pyrimidin-4-amine (PubChem CID 10215659) has the molecular formula C19H16N4S2 and a molecular weight of 364.50 g/mol. Its IUPAC name is 6-benzyl-N-[(E)-(3-methylthiophen-2-yl)methylideneamino]thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-benzyl-N-[(E)-(3-methylthiophen-2-yl)methylideneamino]thieno[2,3-d]pyrimidin-4-amine
PubChem CID10215659
Molecular FormulaC19H16N4S2
Molecular Weight364.50 g/mol
Exact Mass364.08
IUPAC Name6-benzyl-N-[(E)-(3-methylthiophen-2-yl)methylideneamino]thieno[2,3-d]pyrimidin-4-amine
SMILESCc1ccsc1/C=N/Nc1ncnc2sc(Cc3ccccc3)cc12
InChIInChI=1S/C19H16N4S2/c1-13-7-8-24-17(13)11-22-23-18-16-10-15(25-19(16)21-12-20-18)9-14-5-3-2-4-6-14/h2-8,10-12H,9H2,1H3,(H,20,21,23)/b22-11+
InChIKeyBDAURYFYAMPNOH-SSDVNMTOSA-N
XLogP5.10
TPSA50.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.50
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-benzyl-N-[(E)-(3-methylthiophen-2-yl)methylideneamino]thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 6-benzyl-N-[(E)-(3-methylthiophen-2-yl)methylideneamino]thieno[2,3-d]pyrimidin-4-amine (CID 10215659) is 6-benzyl-N-[(E)-(3-methylthiophen-2-yl)methylideneamino]thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 6-benzyl-N-[(E)-(3-methylthiophen-2-yl)methylideneamino]thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 6-benzyl-N-[(E)-(3-methylthiophen-2-yl)methylideneamino]thieno[2,3-d]pyrimidin-4-amine is Cc1ccsc1/C=N/Nc1ncnc2sc(Cc3ccccc3)cc12.
What is the InChIKey of 6-benzyl-N-[(E)-(3-methylthiophen-2-yl)methylideneamino]thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is BDAURYFYAMPNOH-SSDVNMTOSA-N. The full InChI is InChI=1S/C19H16N4S2/c1-13-7-8-24-17(13)11-22-23-18-16-10-15(25-19(16)21-12-20-18)9-14-5-3-2-4-6-14/h2-8,10-12H,9H2,1H3,(H,20,21,23)/b22-11+.
What are the key properties of 6-benzyl-N-[(E)-(3-methylthiophen-2-yl)methylideneamino]thieno[2,3-d]pyrimidin-4-amine?
6-benzyl-N-[(E)-(3-methylthiophen-2-yl)methylideneamino]thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 364.50 g/mol, XLogP of 5.10, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-N-[(E)-(3-methylthiophen-2-yl)methylideneamino]thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 10215659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).