5,6-dimethyl-N-(4-phenoxyphenyl)thieno[2,3-d]pyrimidin-4-amine

C20H17N3OS — CID 757216

IUPAC5,6-dimethyl-N-(4-phenoxyphenyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCc1sc2ncnc(Nc3ccc(Oc4ccccc4)cc3)c2c1C
InChIInChI=1S/C20H17N3OS/c1-13-14(2)25-20-18(13)19(21-12-22-20)23-15-8-10-17(11-9-15)24-16-6-4-3-5-7-16/h3-12H,1-2H3,(H,21,22,23)
InChIKeyVREATLQORSAPGV-UHFFFAOYSA-N
MW347.44 g/mol
LogP5.84
Rot. Bonds4

About 5,6-dimethyl-N-(4-phenoxyphenyl)thieno[2,3-d]pyrimidin-4-amine

5,6-dimethyl-N-(4-phenoxyphenyl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 757216) has the molecular formula C20H17N3OS and a molecular weight of 347.44 g/mol. Its IUPAC name is 5,6-dimethyl-N-(4-phenoxyphenyl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name5,6-dimethyl-N-(4-phenoxyphenyl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID757216
Molecular FormulaC20H17N3OS
Molecular Weight347.44 g/mol
Exact Mass347.11
IUPAC Name5,6-dimethyl-N-(4-phenoxyphenyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCc1sc2ncnc(Nc3ccc(Oc4ccccc4)cc3)c2c1C
InChIInChI=1S/C20H17N3OS/c1-13-14(2)25-20-18(13)19(21-12-22-20)23-15-8-10-17(11-9-15)24-16-6-4-3-5-7-16/h3-12H,1-2H3,(H,21,22,23)
InChIKeyVREATLQORSAPGV-UHFFFAOYSA-N
XLogP5.84
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.44
LogP ≤ 55.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5,6-dimethyl-N-phenylthieno[2,3-d]pyrimidin-4-amine
CID 835079
N-(4-ethoxyphenyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 731293
5,6-dimethyl-N-naphthalen-2-ylthieno[2,3-d]pyrimidin-4-amine
CID 705281
N-(4-methoxyphenyl)-6-methyl-5-phenylthieno[2,3-d]pyrimidin-4-amine;hydrochloride
CID 18593654
5,6-dimethyl-N-(3-pyrazin-2-yloxyphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 31980652
N-(3-fluorophenyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 769518
4-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-N,N-dimethylbenzamide
CID 8934330
4-N-(4,5-dimethyl-1,3-thiazol-2-yl)-6-N-(4-phenoxyphenyl)pyrimidine-4,5,6-triamine
CID 19149673
1,3-dimethyl-N-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 110434899
3-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]benzoic acid;hydrochloride
CID 2791328
N-(2-ethylphenyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 15985074
5-(3,4-dimethoxyphenyl)-N-(4-phenoxyphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 21011253

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-N-(4-phenoxyphenyl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 5,6-dimethyl-N-(4-phenoxyphenyl)thieno[2,3-d]pyrimidin-4-amine (CID 757216) is 5,6-dimethyl-N-(4-phenoxyphenyl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 5,6-dimethyl-N-(4-phenoxyphenyl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 5,6-dimethyl-N-(4-phenoxyphenyl)thieno[2,3-d]pyrimidin-4-amine is Cc1sc2ncnc(Nc3ccc(Oc4ccccc4)cc3)c2c1C.
What is the InChIKey of 5,6-dimethyl-N-(4-phenoxyphenyl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is VREATLQORSAPGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3OS/c1-13-14(2)25-20-18(13)19(21-12-22-20)23-15-8-10-17(11-9-15)24-16-6-4-3-5-7-16/h3-12H,1-2H3,(H,21,22,23).
What are the key properties of 5,6-dimethyl-N-(4-phenoxyphenyl)thieno[2,3-d]pyrimidin-4-amine?
5,6-dimethyl-N-(4-phenoxyphenyl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 347.44 g/mol, XLogP of 5.84, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-N-(4-phenoxyphenyl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 757216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).