5-(4-aminophenyl)-6-[2-[4-(dimethylamino)phenyl]ethyl]thieno[2,3-d]pyrimidin-4-amine

C22H23N5S — CID 69057953

IUPAC5-(4-aminophenyl)-6-[2-[4-(dimethylamino)phenyl]ethyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCN(C)c1ccc(CCc2sc3ncnc(N)c3c2-c2ccc(N)cc2)cc1
InChIInChI=1S/C22H23N5S/c1-27(2)17-10-3-14(4-11-17)5-12-18-19(15-6-8-16(23)9-7-15)20-21(24)25-13-26-22(20)28-18/h3-4,6-11,13H,5,12,23H2,1-2H3,(H2,24,25,26)
InChIKeyOTVAVOZUINMVOV-UHFFFAOYSA-N
MW389.53 g/mol
LogP4.37
Rot. Bonds5

About 5-(4-aminophenyl)-6-[2-[4-(dimethylamino)phenyl]ethyl]thieno[2,3-d]pyrimidin-4-amine

5-(4-aminophenyl)-6-[2-[4-(dimethylamino)phenyl]ethyl]thieno[2,3-d]pyrimidin-4-amine (PubChem CID 69057953) has the molecular formula C22H23N5S and a molecular weight of 389.53 g/mol. Its IUPAC name is 5-(4-aminophenyl)-6-[2-[4-(dimethylamino)phenyl]ethyl]thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name5-(4-aminophenyl)-6-[2-[4-(dimethylamino)phenyl]ethyl]thieno[2,3-d]pyrimidin-4-amine
PubChem CID69057953
Molecular FormulaC22H23N5S
Molecular Weight389.53 g/mol
Exact Mass389.17
IUPAC Name5-(4-aminophenyl)-6-[2-[4-(dimethylamino)phenyl]ethyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCN(C)c1ccc(CCc2sc3ncnc(N)c3c2-c2ccc(N)cc2)cc1
InChIInChI=1S/C22H23N5S/c1-27(2)17-10-3-14(4-11-17)5-12-18-19(15-6-8-16(23)9-7-15)20-21(24)25-13-26-22(20)28-18/h3-4,6-11,13H,5,12,23H2,1-2H3,(H2,24,25,26)
InChIKeyOTVAVOZUINMVOV-UHFFFAOYSA-N
XLogP4.37
TPSA81.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.53
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-(4-aminophenyl)-6-ethylthieno[2,3-d]pyrimidin-4-amine
CID 69061425
1-[4-[4-amino-6-[[4-(dimethylamino)phenyl]methyl]thieno[2,3-d]pyrimidin-5-yl]phenyl]-3-(3-ethylphenyl)urea
CID 69062002
5-(4-aminophenyl)-6-bromothieno[2,3-d]pyrimidin-4-amine
CID 69055204
4-N-[5-(4-ethylphenyl)-6-methylthieno[2,3-d]pyrimidin-4-yl]benzene-1,4-diamine
CID 28852465
N-[4-[4-amino-6-(2-hydroxyethyl)thieno[2,3-d]pyrimidin-5-yl]phenyl]-2-(3-methylphenyl)acetamide
CID 69055065
4-N,4-N-dimethyl-1-N-[6-methyl-5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]benzene-1,4-diamine
CID 21012140
1-[4-(4-amino-6-ethylthieno[2,3-d]pyrimidin-5-yl)phenyl]-3-(4-methylsulfanylphenyl)urea
CID 69056645
4-[5-(2-aminoethyl)-2-pyridinyl]-N,N-dimethylaniline
CID 59419619
1-[4-[4-amino-6-[2-(dimethylamino)ethyl]thieno[2,3-d]pyrimidin-5-yl]phenyl]-3-[2-fluoro-5-(trifluoromethyl)phenyl]urea
CID 69058182
4-[[2-[4-(dimethylamino)phenyl]imidazol-1-yl]methyl]aniline
CID 82559230
1-[4-(4-amino-6-ethylthieno[2,3-d]pyrimidin-5-yl)phenyl]-3-(3-hydroxy-4-methylphenyl)urea
CID 69062505
2-chloro-6-ethyl-5-(4-ethylphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 93214011

Frequently Asked Questions

What is the IUPAC name of 5-(4-aminophenyl)-6-[2-[4-(dimethylamino)phenyl]ethyl]thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 5-(4-aminophenyl)-6-[2-[4-(dimethylamino)phenyl]ethyl]thieno[2,3-d]pyrimidin-4-amine (CID 69057953) is 5-(4-aminophenyl)-6-[2-[4-(dimethylamino)phenyl]ethyl]thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 5-(4-aminophenyl)-6-[2-[4-(dimethylamino)phenyl]ethyl]thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 5-(4-aminophenyl)-6-[2-[4-(dimethylamino)phenyl]ethyl]thieno[2,3-d]pyrimidin-4-amine is CN(C)c1ccc(CCc2sc3ncnc(N)c3c2-c2ccc(N)cc2)cc1.
What is the InChIKey of 5-(4-aminophenyl)-6-[2-[4-(dimethylamino)phenyl]ethyl]thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is OTVAVOZUINMVOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5S/c1-27(2)17-10-3-14(4-11-17)5-12-18-19(15-6-8-16(23)9-7-15)20-21(24)25-13-26-22(20)28-18/h3-4,6-11,13H,5,12,23H2,1-2H3,(H2,24,25,26).
What are the key properties of 5-(4-aminophenyl)-6-[2-[4-(dimethylamino)phenyl]ethyl]thieno[2,3-d]pyrimidin-4-amine?
5-(4-aminophenyl)-6-[2-[4-(dimethylamino)phenyl]ethyl]thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 389.53 g/mol, XLogP of 4.37, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-aminophenyl)-6-[2-[4-(dimethylamino)phenyl]ethyl]thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 69057953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).