N-[(Z)-thiophen-2-ylmethylideneamino]-[1]benzofuro[3,2-d]pyrimidin-4-amine

C15H10N4OS — CID 9299932

IUPACN-[(Z)-thiophen-2-ylmethylideneamino]-[1]benzofuro[3,2-d]pyrimidin-4-amine
SMILESC(=N\Nc1ncnc2c1oc1ccccc12)\c1cccs1
InChIInChI=1S/C15H10N4OS/c1-2-6-12-11(5-1)13-14(20-12)15(17-9-16-13)19-18-8-10-4-3-7-21-10/h1-9H,(H,16,17,19)/b18-8-
InChIKeyAWEVFDFFBUWIMF-LSCVHKIXSA-N
MW294.34 g/mol
LogP3.88
Rot. Bonds3

About N-[(Z)-thiophen-2-ylmethylideneamino]-[1]benzofuro[3,2-d]pyrimidin-4-amine

N-[(Z)-thiophen-2-ylmethylideneamino]-[1]benzofuro[3,2-d]pyrimidin-4-amine (PubChem CID 9299932) has the molecular formula C15H10N4OS and a molecular weight of 294.34 g/mol. Its IUPAC name is N-[(Z)-thiophen-2-ylmethylideneamino]-[1]benzofuro[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(Z)-thiophen-2-ylmethylideneamino]-[1]benzofuro[3,2-d]pyrimidin-4-amine
PubChem CID9299932
Molecular FormulaC15H10N4OS
Molecular Weight294.34 g/mol
Exact Mass294.06
IUPAC NameN-[(Z)-thiophen-2-ylmethylideneamino]-[1]benzofuro[3,2-d]pyrimidin-4-amine
SMILESC(=N\Nc1ncnc2c1oc1ccccc12)\c1cccs1
InChIInChI=1S/C15H10N4OS/c1-2-6-12-11(5-1)13-14(20-12)15(17-9-16-13)19-18-8-10-4-3-7-21-10/h1-9H,(H,16,17,19)/b18-8-
InChIKeyAWEVFDFFBUWIMF-LSCVHKIXSA-N
XLogP3.88
TPSA63.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.34
LogP ≤ 53.88
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 N-[(Z)-thiophen-2-ylmethylideneamino]-[1]benzofuro[3,2-d]pyrimidin-4-amine?
The IUPAC name of N-[(Z)-thiophen-2-ylmethylideneamino]-[1]benzofuro[3,2-d]pyrimidin-4-amine (CID 9299932) is N-[(Z)-thiophen-2-ylmethylideneamino]-[1]benzofuro[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for N-[(Z)-thiophen-2-ylmethylideneamino]-[1]benzofuro[3,2-d]pyrimidin-4-amine?
The canonical SMILES for N-[(Z)-thiophen-2-ylmethylideneamino]-[1]benzofuro[3,2-d]pyrimidin-4-amine is C(=N\Nc1ncnc2c1oc1ccccc12)\c1cccs1.
What is the InChIKey of N-[(Z)-thiophen-2-ylmethylideneamino]-[1]benzofuro[3,2-d]pyrimidin-4-amine?
The InChIKey is AWEVFDFFBUWIMF-LSCVHKIXSA-N. The full InChI is InChI=1S/C15H10N4OS/c1-2-6-12-11(5-1)13-14(20-12)15(17-9-16-13)19-18-8-10-4-3-7-21-10/h1-9H,(H,16,17,19)/b18-8-.
What are the key properties of N-[(Z)-thiophen-2-ylmethylideneamino]-[1]benzofuro[3,2-d]pyrimidin-4-amine?
N-[(Z)-thiophen-2-ylmethylideneamino]-[1]benzofuro[3,2-d]pyrimidin-4-amine has a molecular weight of 294.34 g/mol, XLogP of 3.88, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-thiophen-2-ylmethylideneamino]-[1]benzofuro[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 9299932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).