N-[(Z)-1-pyrazin-2-ylethylideneamino]thieno[2,3-d]pyrimidin-4-amine

C12H10N6S — CID 134142476

IUPACN-[(Z)-1-pyrazin-2-ylethylideneamino]thieno[2,3-d]pyrimidin-4-amine
SMILESC/C(=N/Nc1ncnc2sccc12)c1cnccn1
InChIInChI=1S/C12H10N6S/c1-8(10-6-13-3-4-14-10)17-18-11-9-2-5-19-12(9)16-7-15-11/h2-7H,1H3,(H,15,16,18)/b17-8-
InChIKeyYIVXACWOADEURM-IUXPMGMMSA-N
MW270.32 g/mol
LogP2.32
Rot. Bonds3

About N-[(Z)-1-pyrazin-2-ylethylideneamino]thieno[2,3-d]pyrimidin-4-amine

N-[(Z)-1-pyrazin-2-ylethylideneamino]thieno[2,3-d]pyrimidin-4-amine (PubChem CID 134142476) has the molecular formula C12H10N6S and a molecular weight of 270.32 g/mol. Its IUPAC name is N-[(Z)-1-pyrazin-2-ylethylideneamino]thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(Z)-1-pyrazin-2-ylethylideneamino]thieno[2,3-d]pyrimidin-4-amine
PubChem CID134142476
Molecular FormulaC12H10N6S
Molecular Weight270.32 g/mol
Exact Mass270.07
IUPAC NameN-[(Z)-1-pyrazin-2-ylethylideneamino]thieno[2,3-d]pyrimidin-4-amine
SMILESC/C(=N/Nc1ncnc2sccc12)c1cnccn1
InChIInChI=1S/C12H10N6S/c1-8(10-6-13-3-4-14-10)17-18-11-9-2-5-19-12(9)16-7-15-11/h2-7H,1H3,(H,15,16,18)/b17-8-
InChIKeyYIVXACWOADEURM-IUXPMGMMSA-N
XLogP2.32
TPSA75.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.32
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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 N-[(Z)-1-pyrazin-2-ylethylideneamino]thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-[(Z)-1-pyrazin-2-ylethylideneamino]thieno[2,3-d]pyrimidin-4-amine (CID 134142476) is N-[(Z)-1-pyrazin-2-ylethylideneamino]thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-[(Z)-1-pyrazin-2-ylethylideneamino]thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-[(Z)-1-pyrazin-2-ylethylideneamino]thieno[2,3-d]pyrimidin-4-amine is C/C(=N/Nc1ncnc2sccc12)c1cnccn1.
What is the InChIKey of N-[(Z)-1-pyrazin-2-ylethylideneamino]thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is YIVXACWOADEURM-IUXPMGMMSA-N. The full InChI is InChI=1S/C12H10N6S/c1-8(10-6-13-3-4-14-10)17-18-11-9-2-5-19-12(9)16-7-15-11/h2-7H,1H3,(H,15,16,18)/b17-8-.
What are the key properties of N-[(Z)-1-pyrazin-2-ylethylideneamino]thieno[2,3-d]pyrimidin-4-amine?
N-[(Z)-1-pyrazin-2-ylethylideneamino]thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 270.32 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-pyrazin-2-ylethylideneamino]thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 134142476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).