N-[(Z)-1-(3-aminophenyl)ethylideneamino]-6-phenylthieno[2,3-d]pyrimidin-4-amine

C20H17N5S — CID 9257586

IUPACN-[(Z)-1-(3-aminophenyl)ethylideneamino]-6-phenylthieno[2,3-d]pyrimidin-4-amine
SMILESC/C(=N/Nc1ncnc2sc(-c3ccccc3)cc12)c1cccc(N)c1
InChIInChI=1S/C20H17N5S/c1-13(15-8-5-9-16(21)10-15)24-25-19-17-11-18(14-6-3-2-4-7-14)26-20(17)23-12-22-19/h2-12H,21H2,1H3,(H,22,23,25)/b24-13-
InChIKeyOCJIBKKDFHJALX-CFRMEGHHSA-N
MW359.46 g/mol
LogP4.78
Rot. Bonds4

About N-[(Z)-1-(3-aminophenyl)ethylideneamino]-6-phenylthieno[2,3-d]pyrimidin-4-amine

N-[(Z)-1-(3-aminophenyl)ethylideneamino]-6-phenylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 9257586) has the molecular formula C20H17N5S and a molecular weight of 359.46 g/mol. Its IUPAC name is N-[(Z)-1-(3-aminophenyl)ethylideneamino]-6-phenylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(Z)-1-(3-aminophenyl)ethylideneamino]-6-phenylthieno[2,3-d]pyrimidin-4-amine
PubChem CID9257586
Molecular FormulaC20H17N5S
Molecular Weight359.46 g/mol
Exact Mass359.12
IUPAC NameN-[(Z)-1-(3-aminophenyl)ethylideneamino]-6-phenylthieno[2,3-d]pyrimidin-4-amine
SMILESC/C(=N/Nc1ncnc2sc(-c3ccccc3)cc12)c1cccc(N)c1
InChIInChI=1S/C20H17N5S/c1-13(15-8-5-9-16(21)10-15)24-25-19-17-11-18(14-6-3-2-4-7-14)26-20(17)23-12-22-19/h2-12H,21H2,1H3,(H,22,23,25)/b24-13-
InChIKeyOCJIBKKDFHJALX-CFRMEGHHSA-N
XLogP4.78
TPSA76.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.46
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[(Z)-1-(3-aminophenyl)ethylideneamino]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 7966290
N-methyl-6-phenylthieno[2,3-d]pyrimidin-4-amine
CID 4882445
N-(cyclohexylideneamino)-6-phenylthieno[2,3-d]pyrimidin-4-amine
CID 9409544
dimethyl 5-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]benzene-1,3-dicarboxylate
CID 1039308
[[(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]-phosphonomethyl]phosphonic acid
CID 71583207
N-[(Z)-1-phenylethylideneamino]quinazolin-4-amine
CID 7272632
N-(2-acetamidoethyl)-2-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide
CID 39085150
N-(4-fluorophenyl)-6-phenylthieno[2,3-d]pyrimidin-4-amine;hydrochloride
CID 44635739
N-(butan-2-ylideneamino)-2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-amine
CID 4640728
(2S)-2-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]butan-1-ol
CID 28849500
4-methyl-6-phenylthieno[2,3-d]pyrimidine
CID 58810662
6-phenylthieno[2,3-d]pyrimidine-4-thiolate
CID 7059157

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(3-aminophenyl)ethylideneamino]-6-phenylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-[(Z)-1-(3-aminophenyl)ethylideneamino]-6-phenylthieno[2,3-d]pyrimidin-4-amine (CID 9257586) is N-[(Z)-1-(3-aminophenyl)ethylideneamino]-6-phenylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-[(Z)-1-(3-aminophenyl)ethylideneamino]-6-phenylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-[(Z)-1-(3-aminophenyl)ethylideneamino]-6-phenylthieno[2,3-d]pyrimidin-4-amine is C/C(=N/Nc1ncnc2sc(-c3ccccc3)cc12)c1cccc(N)c1.
What is the InChIKey of N-[(Z)-1-(3-aminophenyl)ethylideneamino]-6-phenylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is OCJIBKKDFHJALX-CFRMEGHHSA-N. The full InChI is InChI=1S/C20H17N5S/c1-13(15-8-5-9-16(21)10-15)24-25-19-17-11-18(14-6-3-2-4-7-14)26-20(17)23-12-22-19/h2-12H,21H2,1H3,(H,22,23,25)/b24-13-.
What are the key properties of N-[(Z)-1-(3-aminophenyl)ethylideneamino]-6-phenylthieno[2,3-d]pyrimidin-4-amine?
N-[(Z)-1-(3-aminophenyl)ethylideneamino]-6-phenylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 359.46 g/mol, XLogP of 4.78, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(3-aminophenyl)ethylideneamino]-6-phenylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 9257586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).