3-[7-methyl-4-(pyridin-3-ylmethyldiazenyl)thieno[3,2-d]pyrimidin-6-yl]aniline

C19H16N6S — CID 91108299

IUPAC3-[7-methyl-4-(pyridin-3-ylmethyldiazenyl)thieno[3,2-d]pyrimidin-6-yl]aniline
SMILESCc1c(-c2cccc(N)c2)sc2c(/N=N/Cc3cccnc3)ncnc12
InChIInChI=1S/C19H16N6S/c1-12-16-18(26-17(12)14-5-2-6-15(20)8-14)19(23-11-22-16)25-24-10-13-4-3-7-21-9-13/h2-9,11H,10,20H2,1H3/b25-24+
InChIKeyOLSGCUICDTYLAF-OCOZRVBESA-N
MW360.45 g/mol
LogP4.93
Rot. Bonds4

About 3-[7-methyl-4-(pyridin-3-ylmethyldiazenyl)thieno[3,2-d]pyrimidin-6-yl]aniline

3-[7-methyl-4-(pyridin-3-ylmethyldiazenyl)thieno[3,2-d]pyrimidin-6-yl]aniline (PubChem CID 91108299) has the molecular formula C19H16N6S and a molecular weight of 360.45 g/mol. Its IUPAC name is 3-[7-methyl-4-(pyridin-3-ylmethyldiazenyl)thieno[3,2-d]pyrimidin-6-yl]aniline.

Molecular Properties

Compound Name3-[7-methyl-4-(pyridin-3-ylmethyldiazenyl)thieno[3,2-d]pyrimidin-6-yl]aniline
PubChem CID91108299
Molecular FormulaC19H16N6S
Molecular Weight360.45 g/mol
Exact Mass360.12
IUPAC Name3-[7-methyl-4-(pyridin-3-ylmethyldiazenyl)thieno[3,2-d]pyrimidin-6-yl]aniline
SMILESCc1c(-c2cccc(N)c2)sc2c(/N=N/Cc3cccnc3)ncnc12
InChIInChI=1S/C19H16N6S/c1-12-16-18(26-17(12)14-5-2-6-15(20)8-14)19(23-11-22-16)25-24-10-13-4-3-7-21-9-13/h2-9,11H,10,20H2,1H3/b25-24+
InChIKeyOLSGCUICDTYLAF-OCOZRVBESA-N
XLogP4.93
TPSA89.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.45
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

[6-(3-methoxyphenyl)-7-methylthieno[3,2-d]pyrimidin-4-yl]-(pyridin-3-ylmethyl)diazene
CID 91397560
[6-(2-methoxyphenyl)-7-methylthieno[3,2-d]pyrimidin-4-yl]-(pyridin-3-ylmethyl)diazene
CID 91061860
(7-ethylthieno[3,2-d]pyrimidin-4-yl)-(pyridin-3-ylmethyl)diazene
CID 90924504
(6-iodo-7-methylthieno[3,2-d]pyrimidin-4-yl)-(pyridin-2-ylmethyl)diazene
CID 91472470
3-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)aniline
CID 116885240
6-(2-ethoxyphenyl)-4-[(3-methoxyphenyl)methyldiazenyl]thieno[3,2-d]pyrimidine-7-carbonitrile
CID 91112261
3-pyridin-3-ylaniline;dihydrochloride
CID 21146183
pyridin-3-ylmethyl-[1-(1,3-thiazol-2-yl)pyrazolo[3,4-d]pyrimidin-4-yl]diazene
CID 91333738
2-amino-4,5-dimethyl-7-(pyridin-3-ylmethyl)-1,3-benzothiazol-6-ol;hydrochloride
CID 45264757
3-pyrimidin-5-ylaniline
CID 7162049
2-methyl-1-pyridin-3-ylpropan-2-amine;dihydrochloride
CID 131637820
3-(4-methyl-1,3-thiazol-5-yl)aniline
CID 165438455

Frequently Asked Questions

What is the IUPAC name of 3-[7-methyl-4-(pyridin-3-ylmethyldiazenyl)thieno[3,2-d]pyrimidin-6-yl]aniline?
The IUPAC name of 3-[7-methyl-4-(pyridin-3-ylmethyldiazenyl)thieno[3,2-d]pyrimidin-6-yl]aniline (CID 91108299) is 3-[7-methyl-4-(pyridin-3-ylmethyldiazenyl)thieno[3,2-d]pyrimidin-6-yl]aniline.
What is the SMILES notation for 3-[7-methyl-4-(pyridin-3-ylmethyldiazenyl)thieno[3,2-d]pyrimidin-6-yl]aniline?
The canonical SMILES for 3-[7-methyl-4-(pyridin-3-ylmethyldiazenyl)thieno[3,2-d]pyrimidin-6-yl]aniline is Cc1c(-c2cccc(N)c2)sc2c(/N=N/Cc3cccnc3)ncnc12.
What is the InChIKey of 3-[7-methyl-4-(pyridin-3-ylmethyldiazenyl)thieno[3,2-d]pyrimidin-6-yl]aniline?
The InChIKey is OLSGCUICDTYLAF-OCOZRVBESA-N. The full InChI is InChI=1S/C19H16N6S/c1-12-16-18(26-17(12)14-5-2-6-15(20)8-14)19(23-11-22-16)25-24-10-13-4-3-7-21-9-13/h2-9,11H,10,20H2,1H3/b25-24+.
What are the key properties of 3-[7-methyl-4-(pyridin-3-ylmethyldiazenyl)thieno[3,2-d]pyrimidin-6-yl]aniline?
3-[7-methyl-4-(pyridin-3-ylmethyldiazenyl)thieno[3,2-d]pyrimidin-6-yl]aniline has a molecular weight of 360.45 g/mol, XLogP of 4.93, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[7-methyl-4-(pyridin-3-ylmethyldiazenyl)thieno[3,2-d]pyrimidin-6-yl]aniline is sourced from PubChem (CID 91108299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).