[6-(2-methoxyphenyl)-7-methylthieno[3,2-d]pyrimidin-4-yl]-(pyridin-3-ylmethyl)diazene

C20H17N5OS — CID 91061860

IUPAC[6-(2-methoxyphenyl)-7-methylthieno[3,2-d]pyrimidin-4-yl]-(pyridin-3-ylmethyl)diazene
SMILESCOc1ccccc1-c1sc2c(/N=N/Cc3cccnc3)ncnc2c1C
InChIInChI=1S/C20H17N5OS/c1-13-17-19(27-18(13)15-7-3-4-8-16(15)26-2)20(23-12-22-17)25-24-11-14-6-5-9-21-10-14/h3-10,12H,11H2,1-2H3/b25-24+
InChIKeyLSYHUNQVQZQIBB-OCOZRVBESA-N
MW375.46 g/mol
LogP5.35
Rot. Bonds5

About [6-(2-methoxyphenyl)-7-methylthieno[3,2-d]pyrimidin-4-yl]-(pyridin-3-ylmethyl)diazene

[6-(2-methoxyphenyl)-7-methylthieno[3,2-d]pyrimidin-4-yl]-(pyridin-3-ylmethyl)diazene (PubChem CID 91061860) has the molecular formula C20H17N5OS and a molecular weight of 375.46 g/mol. Its IUPAC name is [6-(2-methoxyphenyl)-7-methylthieno[3,2-d]pyrimidin-4-yl]-(pyridin-3-ylmethyl)diazene.

Molecular Properties

Compound Name[6-(2-methoxyphenyl)-7-methylthieno[3,2-d]pyrimidin-4-yl]-(pyridin-3-ylmethyl)diazene
PubChem CID91061860
Molecular FormulaC20H17N5OS
Molecular Weight375.46 g/mol
Exact Mass375.12
IUPAC Name[6-(2-methoxyphenyl)-7-methylthieno[3,2-d]pyrimidin-4-yl]-(pyridin-3-ylmethyl)diazene
SMILESCOc1ccccc1-c1sc2c(/N=N/Cc3cccnc3)ncnc2c1C
InChIInChI=1S/C20H17N5OS/c1-13-17-19(27-18(13)15-7-3-4-8-16(15)26-2)20(23-12-22-17)25-24-11-14-6-5-9-21-10-14/h3-10,12H,11H2,1-2H3/b25-24+
InChIKeyLSYHUNQVQZQIBB-OCOZRVBESA-N
XLogP5.35
TPSA72.62 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.46
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', '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
3-[7-methyl-4-(pyridin-3-ylmethyldiazenyl)thieno[3,2-d]pyrimidin-6-yl]aniline
CID 91108299
2-methoxy-5-[[[7-methyl-6-(2-prop-2-enoxyphenyl)thieno[3,2-d]pyrimidin-4-yl]diazenyl]methyl]phenol
CID 91489453
(7-ethylthieno[3,2-d]pyrimidin-4-yl)-(pyridin-3-ylmethyl)diazene
CID 90924504
5-[[[6-(2-ethoxy-4-fluorophenyl)-7-methylthieno[3,2-d]pyrimidin-4-yl]diazenyl]methyl]-2-methoxyphenol
CID 91300419
6-(2-ethoxyphenyl)-4-[(3-methoxyphenyl)methyldiazenyl]thieno[3,2-d]pyrimidine-7-carbonitrile
CID 91112261
7-methyl-6-(2-phenylmethoxyphenyl)-N-(pyridin-3-ylmethylideneamino)thieno[3,2-d]pyrimidin-4-amine
CID 152768332
(6-iodo-7-methylthieno[3,2-d]pyrimidin-4-yl)-(pyridin-2-ylmethyl)diazene
CID 91472470
6-(2-ethoxyphenyl)-4-[(5-methylfuran-2-yl)methyldiazenyl]thieno[3,2-d]pyrimidin-7-ol
CID 91065845
5-[[[6-(2-ethoxyphenyl)-7-hydroxythieno[3,2-d]pyrimidin-4-yl]diazenyl]methyl]-1H-pyrimidine-2,4-dione
CID 91069918
3-(2-methoxyphenyl)pyridine
CID 4133297
4-N-[(2-methoxyphenyl)methyl]-6-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine
CID 112860055

Frequently Asked Questions

What is the IUPAC name of [6-(2-methoxyphenyl)-7-methylthieno[3,2-d]pyrimidin-4-yl]-(pyridin-3-ylmethyl)diazene?
The IUPAC name of [6-(2-methoxyphenyl)-7-methylthieno[3,2-d]pyrimidin-4-yl]-(pyridin-3-ylmethyl)diazene (CID 91061860) is [6-(2-methoxyphenyl)-7-methylthieno[3,2-d]pyrimidin-4-yl]-(pyridin-3-ylmethyl)diazene.
What is the SMILES notation for [6-(2-methoxyphenyl)-7-methylthieno[3,2-d]pyrimidin-4-yl]-(pyridin-3-ylmethyl)diazene?
The canonical SMILES for [6-(2-methoxyphenyl)-7-methylthieno[3,2-d]pyrimidin-4-yl]-(pyridin-3-ylmethyl)diazene is COc1ccccc1-c1sc2c(/N=N/Cc3cccnc3)ncnc2c1C.
What is the InChIKey of [6-(2-methoxyphenyl)-7-methylthieno[3,2-d]pyrimidin-4-yl]-(pyridin-3-ylmethyl)diazene?
The InChIKey is LSYHUNQVQZQIBB-OCOZRVBESA-N. The full InChI is InChI=1S/C20H17N5OS/c1-13-17-19(27-18(13)15-7-3-4-8-16(15)26-2)20(23-12-22-17)25-24-11-14-6-5-9-21-10-14/h3-10,12H,11H2,1-2H3/b25-24+.
What are the key properties of [6-(2-methoxyphenyl)-7-methylthieno[3,2-d]pyrimidin-4-yl]-(pyridin-3-ylmethyl)diazene?
[6-(2-methoxyphenyl)-7-methylthieno[3,2-d]pyrimidin-4-yl]-(pyridin-3-ylmethyl)diazene has a molecular weight of 375.46 g/mol, XLogP of 5.35, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(2-methoxyphenyl)-7-methylthieno[3,2-d]pyrimidin-4-yl]-(pyridin-3-ylmethyl)diazene is sourced from PubChem (CID 91061860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).