2,6-diamino-4-[4-(dimethylamino)phenyl]-4H-thiopyran-3,5-dicarbonitrile

C15H15N5S — CID 3625484

IUPAC2,6-diamino-4-[4-(dimethylamino)phenyl]-4H-thiopyran-3,5-dicarbonitrile
SMILESCN(C)c1ccc(C2C(C#N)=C(N)SC(N)=C2C#N)cc1
InChIInChI=1S/C15H15N5S/c1-20(2)10-5-3-9(4-6-10)13-11(7-16)14(18)21-15(19)12(13)8-17/h3-6,13H,18-19H2,1-2H3
InChIKeyGAJDJRNIBASHDS-UHFFFAOYSA-N
MW297.39 g/mol
LogP1.97
Rot. Bonds2

About 2,6-diamino-4-[4-(dimethylamino)phenyl]-4H-thiopyran-3,5-dicarbonitrile

2,6-diamino-4-[4-(dimethylamino)phenyl]-4H-thiopyran-3,5-dicarbonitrile (PubChem CID 3625484) has the molecular formula C15H15N5S and a molecular weight of 297.39 g/mol. Its IUPAC name is 2,6-diamino-4-[4-(dimethylamino)phenyl]-4H-thiopyran-3,5-dicarbonitrile.

Molecular Properties

Compound Name2,6-diamino-4-[4-(dimethylamino)phenyl]-4H-thiopyran-3,5-dicarbonitrile
PubChem CID3625484
Molecular FormulaC15H15N5S
Molecular Weight297.39 g/mol
Exact Mass297.10
IUPAC Name2,6-diamino-4-[4-(dimethylamino)phenyl]-4H-thiopyran-3,5-dicarbonitrile
SMILESCN(C)c1ccc(C2C(C#N)=C(N)SC(N)=C2C#N)cc1
InChIInChI=1S/C15H15N5S/c1-20(2)10-5-3-9(4-6-10)13-11(7-16)14(18)21-15(19)12(13)8-17/h3-6,13H,18-19H2,1-2H3
InChIKeyGAJDJRNIBASHDS-UHFFFAOYSA-N
XLogP1.97
TPSA102.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.39
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dhp_bis_amino_CN(19)', 'substructure': 'N/A'}

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Related Compounds

2,6-diamino-4-(4-fluorophenyl)-4H-thiopyran-3,5-dicarbonitrile
CID 815709
2,6-diamino-4-(4-phenylphenyl)-4H-thiopyran-3,5-dicarbonitrile
CID 689281
2-amino-4-[4-(dimethylamino)phenyl]-4H-[1]benzothiolo[3,2-b]pyran-3-carbonitrile
CID 3153376
(2Z,7S)-5-amino-7-[4-(dimethylamino)phenyl]-2-[[4-(dimethylamino)phenyl]methylidene]-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarbonitrile
CID 1215608
2,6-diamino-4-pyridin-3-yl-4H-thiopyran-3,5-dicarbonitrile
CID 604802
methyl (4R)-2,6-diamino-5-cyano-4-(4-fluorophenyl)-4H-thiopyran-3-carboxylate
CID 829614
2,6-diamino-4-(3-methoxy-4-propan-2-yloxyphenyl)-4H-thiopyran-3,5-dicarbonitrile
CID 4975154
(4R)-2-amino-7-(dimethylamino)-4-(4-propan-2-ylphenyl)-4H-chromene-3-carbonitrile
CID 845730
2-amino-7-(dimethylamino)-4-(4-methylsulfanylphenyl)-4H-chromene-3-carbonitrile
CID 2844718
6-amino-4-[4-(dimethylamino)phenyl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 2837627
(4S,7S)-2-amino-4-[4-(dimethylamino)phenyl]-7-methyl-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile
CID 766266
(2Z)-5-amino-3-(4-bromophenyl)-2-hydroxyimino-3H-thiophene-4-carbonitrile
CID 6378991

Frequently Asked Questions

What is the IUPAC name of 2,6-diamino-4-[4-(dimethylamino)phenyl]-4H-thiopyran-3,5-dicarbonitrile?
The IUPAC name of 2,6-diamino-4-[4-(dimethylamino)phenyl]-4H-thiopyran-3,5-dicarbonitrile (CID 3625484) is 2,6-diamino-4-[4-(dimethylamino)phenyl]-4H-thiopyran-3,5-dicarbonitrile.
What is the SMILES notation for 2,6-diamino-4-[4-(dimethylamino)phenyl]-4H-thiopyran-3,5-dicarbonitrile?
The canonical SMILES for 2,6-diamino-4-[4-(dimethylamino)phenyl]-4H-thiopyran-3,5-dicarbonitrile is CN(C)c1ccc(C2C(C#N)=C(N)SC(N)=C2C#N)cc1.
What is the InChIKey of 2,6-diamino-4-[4-(dimethylamino)phenyl]-4H-thiopyran-3,5-dicarbonitrile?
The InChIKey is GAJDJRNIBASHDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5S/c1-20(2)10-5-3-9(4-6-10)13-11(7-16)14(18)21-15(19)12(13)8-17/h3-6,13H,18-19H2,1-2H3.
What are the key properties of 2,6-diamino-4-[4-(dimethylamino)phenyl]-4H-thiopyran-3,5-dicarbonitrile?
2,6-diamino-4-[4-(dimethylamino)phenyl]-4H-thiopyran-3,5-dicarbonitrile has a molecular weight of 297.39 g/mol, XLogP of 1.97, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-diamino-4-[4-(dimethylamino)phenyl]-4H-thiopyran-3,5-dicarbonitrile is sourced from PubChem (CID 3625484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).