7-methyl-6-(2-phenylmethoxyphenyl)-N-(pyridin-3-ylmethylideneamino)thieno[3,2-d]pyrimidin-4-amine

C26H21N5OS — CID 152768332

IUPAC7-methyl-6-(2-phenylmethoxyphenyl)-N-(pyridin-3-ylmethylideneamino)thieno[3,2-d]pyrimidin-4-amine
SMILESCc1c(-c2ccccc2OCc2ccccc2)sc2c(NN=Cc3cccnc3)ncnc12
InChIInChI=1S/C26H21N5OS/c1-18-23-25(26(29-17-28-23)31-30-15-20-10-7-13-27-14-20)33-24(18)21-11-5-6-12-22(21)32-16-19-8-3-2-4-9-19/h2-15,17H,16H2,1H3,(H,28,29,31)
InChIKeyGBUVBJXIOYXALT-UHFFFAOYSA-N
MW451.56 g/mol
LogP6.09
Rot. Bonds7

About 7-methyl-6-(2-phenylmethoxyphenyl)-N-(pyridin-3-ylmethylideneamino)thieno[3,2-d]pyrimidin-4-amine

7-methyl-6-(2-phenylmethoxyphenyl)-N-(pyridin-3-ylmethylideneamino)thieno[3,2-d]pyrimidin-4-amine (PubChem CID 152768332) has the molecular formula C26H21N5OS and a molecular weight of 451.56 g/mol. Its IUPAC name is 7-methyl-6-(2-phenylmethoxyphenyl)-N-(pyridin-3-ylmethylideneamino)thieno[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound Name7-methyl-6-(2-phenylmethoxyphenyl)-N-(pyridin-3-ylmethylideneamino)thieno[3,2-d]pyrimidin-4-amine
PubChem CID152768332
Molecular FormulaC26H21N5OS
Molecular Weight451.56 g/mol
Exact Mass451.15
IUPAC Name7-methyl-6-(2-phenylmethoxyphenyl)-N-(pyridin-3-ylmethylideneamino)thieno[3,2-d]pyrimidin-4-amine
SMILESCc1c(-c2ccccc2OCc2ccccc2)sc2c(NN=Cc3cccnc3)ncnc12
InChIInChI=1S/C26H21N5OS/c1-18-23-25(26(29-17-28-23)31-30-15-20-10-7-13-27-14-20)33-24(18)21-11-5-6-12-22(21)32-16-19-8-3-2-4-9-19/h2-15,17H,16H2,1H3,(H,28,29,31)
InChIKeyGBUVBJXIOYXALT-UHFFFAOYSA-N
XLogP6.09
TPSA72.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.56
LogP ≤ 56.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-(2-ethoxyphenyl)-4-[2-(pyridin-3-ylmethylidene)hydrazinyl]thieno[3,2-d]pyrimidin-7-ol
CID 72996873
6-(2-ethoxyphenyl)-4-[(2E)-2-[(3-hydroxyphenyl)methylidene]hydrazinyl]thieno[3,2-d]pyrimidin-7-ol
CID 11711188
4-[[[6-(2-ethoxyphenyl)-7-hydroxythieno[3,2-d]pyrimidin-4-yl]hydrazinylidene]methyl]benzoic acid
CID 73033895
6-(2-ethoxyphenyl)-4-[(2E)-2-[(5-methylthiophen-2-yl)methylidene]hydrazinyl]thieno[3,2-d]pyrimidin-7-ol
CID 11567741
[6-(2-methoxyphenyl)-7-methylthieno[3,2-d]pyrimidin-4-yl]-(pyridin-3-ylmethyl)diazene
CID 91061860
7-methyl-N-(pyridin-2-ylmethylideneamino)-6-thiophen-3-ylthieno[3,2-d]pyrimidin-4-amine
CID 90734863
methyl (1Z)-N-[6-(2-ethoxyphenyl)-7-methylthieno[3,2-d]pyrimidin-4-yl]-4-formylbenzenecarbohydrazonate
CID 11698029
6-(2-ethoxyphenyl)-4-[(2E)-2-[(5-methyl-1H-imidazol-4-yl)methylidene]hydrazinyl]thieno[3,2-d]pyrimidin-7-ol
CID 135520310
6-(2-ethoxyphenyl)-4-[(2E)-2-[(4-imidazol-1-ylphenyl)methylidene]hydrazinyl]thieno[3,2-d]pyrimidine-7-carbonitrile
CID 11583533
6-(2-chlorophenyl)-7-methyl-N-[(E)-thiophen-2-ylmethylideneamino]thieno[3,2-d]pyrimidin-4-amine
CID 10178109
6-(2-ethoxyphenyl)-4-[(2E)-2-[(5-methylfuran-2-yl)methylidene]hydrazinyl]thieno[3,2-d]pyrimidine-7-carbonitrile
CID 11632774
4-[(2E)-2-[(3-chloro-4-fluorophenyl)methylidene]hydrazinyl]-6-(2-ethoxyphenyl)thieno[3,2-d]pyrimidine-7-carbonitrile
CID 11712112

Frequently Asked Questions

What is the IUPAC name of 7-methyl-6-(2-phenylmethoxyphenyl)-N-(pyridin-3-ylmethylideneamino)thieno[3,2-d]pyrimidin-4-amine?
The IUPAC name of 7-methyl-6-(2-phenylmethoxyphenyl)-N-(pyridin-3-ylmethylideneamino)thieno[3,2-d]pyrimidin-4-amine (CID 152768332) is 7-methyl-6-(2-phenylmethoxyphenyl)-N-(pyridin-3-ylmethylideneamino)thieno[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for 7-methyl-6-(2-phenylmethoxyphenyl)-N-(pyridin-3-ylmethylideneamino)thieno[3,2-d]pyrimidin-4-amine?
The canonical SMILES for 7-methyl-6-(2-phenylmethoxyphenyl)-N-(pyridin-3-ylmethylideneamino)thieno[3,2-d]pyrimidin-4-amine is Cc1c(-c2ccccc2OCc2ccccc2)sc2c(NN=Cc3cccnc3)ncnc12.
What is the InChIKey of 7-methyl-6-(2-phenylmethoxyphenyl)-N-(pyridin-3-ylmethylideneamino)thieno[3,2-d]pyrimidin-4-amine?
The InChIKey is GBUVBJXIOYXALT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N5OS/c1-18-23-25(26(29-17-28-23)31-30-15-20-10-7-13-27-14-20)33-24(18)21-11-5-6-12-22(21)32-16-19-8-3-2-4-9-19/h2-15,17H,16H2,1H3,(H,28,29,31).
What are the key properties of 7-methyl-6-(2-phenylmethoxyphenyl)-N-(pyridin-3-ylmethylideneamino)thieno[3,2-d]pyrimidin-4-amine?
7-methyl-6-(2-phenylmethoxyphenyl)-N-(pyridin-3-ylmethylideneamino)thieno[3,2-d]pyrimidin-4-amine has a molecular weight of 451.56 g/mol, XLogP of 6.09, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-6-(2-phenylmethoxyphenyl)-N-(pyridin-3-ylmethylideneamino)thieno[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 152768332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).