4-[(4-amino-8-trimethylstannylquinazolin-2-yl)amino]benzonitrile

C18H19N5Sn — CID 140735823

IUPAC4-[(4-amino-8-trimethylstannylquinazolin-2-yl)amino]benzonitrile
SMILESC[Sn](C)(C)c1cccc2c(N)nc(Nc3ccc(C#N)cc3)nc12
InChIInChI=1S/C15H10N5.3CH3.Sn/c16-9-10-5-7-11(8-6-10)18-15-19-13-4-2-1-3-12(13)14(17)20-15;;;;/h1-3,5-8H,(H3,17,18,19,20);3*1H3;
InChIKeyMTMDGYVUDRJTIF-UHFFFAOYSA-N
MW424.10 g/mol
LogP3.37
Rot. Bonds3

About 4-[(4-amino-8-trimethylstannylquinazolin-2-yl)amino]benzonitrile

4-[(4-amino-8-trimethylstannylquinazolin-2-yl)amino]benzonitrile (PubChem CID 140735823) has the molecular formula C18H19N5Sn and a molecular weight of 424.10 g/mol. Its IUPAC name is 4-[(4-amino-8-trimethylstannylquinazolin-2-yl)amino]benzonitrile.

Molecular Properties

Compound Name4-[(4-amino-8-trimethylstannylquinazolin-2-yl)amino]benzonitrile
PubChem CID140735823
Molecular FormulaC18H19N5Sn
Molecular Weight424.10 g/mol
Exact Mass425.07
IUPAC Name4-[(4-amino-8-trimethylstannylquinazolin-2-yl)amino]benzonitrile
SMILESC[Sn](C)(C)c1cccc2c(N)nc(Nc3ccc(C#N)cc3)nc12
InChIInChI=1S/C15H10N5.3CH3.Sn/c16-9-10-5-7-11(8-6-10)18-15-19-13-4-2-1-3-12(13)14(17)20-15;;;;/h1-3,5-8H,(H3,17,18,19,20);3*1H3;
InChIKeyMTMDGYVUDRJTIF-UHFFFAOYSA-N
XLogP3.37
TPSA87.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.10
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[4-amino-8-[2,6-dimethyl-4-[(E)-prop-1-enyl]phenyl]quinazolin-2-yl]amino]benzonitrile
CID 170225750
4-[[4-amino-8-[4-(1-cyanoprop-1-en-2-yl)-2,6-dimethylphenyl]quinazolin-2-yl]amino]benzonitrile
CID 121439586
4-[[4-amino-8-[4-[(E)-2-cyanoethenyl]-2,6-dimethoxyphenyl]quinazolin-2-yl]amino]benzonitrile;4-[(4-amino-8-trimethylstannylquinazolin-2-yl)amino]benzonitrile;(E)-3-(4-bromo-3,5-dimethoxyphenyl)prop-2-enenitrile;tert-butylphosphane;2-methylpropane;palladium;phosphane;bis(2,2,3,3-tetramethylbutane)
CID 159566464
4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]benzonitrile
CID 80760660
4-[2-(4-cyanoanilino)quinazolin-4-yl]oxy-3-methylbenzonitrile
CID 46831453
CID 87928146
CID 87928146
4-[[4-amino-6-(2,6-dibromo-4-methylanilino)-1,3,5-triazin-2-yl]amino]benzonitrile
CID 505532
4-[[8-bromo-4-(butylamino)quinazolin-2-yl]amino]benzonitrile;hydrochloride
CID 121439522
5-[(4-amino-8-bromoquinazolin-2-yl)amino]pyridine-2-carbonitrile;5-aminopyridine-2-carbonitrile;8-bromo-2-chloroquinazolin-4-amine
CID 159135002
4-[(5-amino-1H-1,2,4-triazol-3-yl)amino]benzonitrile
CID 72714702
4-[[4-amino-6-(2,4,6-trichloroanilino)-1,3,5-triazin-2-yl]amino]benzonitrile
CID 505492
4-[(4-aminoquinazolin-2-yl)amino]phenol;hydrochloride
CID 18560677

Frequently Asked Questions

What is the IUPAC name of 4-[(4-amino-8-trimethylstannylquinazolin-2-yl)amino]benzonitrile?
The IUPAC name of 4-[(4-amino-8-trimethylstannylquinazolin-2-yl)amino]benzonitrile (CID 140735823) is 4-[(4-amino-8-trimethylstannylquinazolin-2-yl)amino]benzonitrile.
What is the SMILES notation for 4-[(4-amino-8-trimethylstannylquinazolin-2-yl)amino]benzonitrile?
The canonical SMILES for 4-[(4-amino-8-trimethylstannylquinazolin-2-yl)amino]benzonitrile is C[Sn](C)(C)c1cccc2c(N)nc(Nc3ccc(C#N)cc3)nc12.
What is the InChIKey of 4-[(4-amino-8-trimethylstannylquinazolin-2-yl)amino]benzonitrile?
The InChIKey is MTMDGYVUDRJTIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N5.3CH3.Sn/c16-9-10-5-7-11(8-6-10)18-15-19-13-4-2-1-3-12(13)14(17)20-15;;;;/h1-3,5-8H,(H3,17,18,19,20);3*1H3;.
What are the key properties of 4-[(4-amino-8-trimethylstannylquinazolin-2-yl)amino]benzonitrile?
4-[(4-amino-8-trimethylstannylquinazolin-2-yl)amino]benzonitrile has a molecular weight of 424.10 g/mol, XLogP of 3.37, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-amino-8-trimethylstannylquinazolin-2-yl)amino]benzonitrile is sourced from PubChem (CID 140735823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).