5-(3,4-dimethoxyphenyl)-N-(2-propan-2-yloxyphenyl)thieno[2,3-d]pyrimidin-4-amine

C23H23N3O3S — CID 28695342

IUPAC5-(3,4-dimethoxyphenyl)-N-(2-propan-2-yloxyphenyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCOc1ccc(-c2csc3ncnc(Nc4ccccc4OC(C)C)c23)cc1OC
InChIInChI=1S/C23H23N3O3S/c1-14(2)29-18-8-6-5-7-17(18)26-22-21-16(12-30-23(21)25-13-24-22)15-9-10-19(27-3)20(11-15)28-4/h5-14H,1-4H3,(H,24,25,26)
InChIKeyBIGWRKHQNWYCAU-UHFFFAOYSA-N
MW421.52 g/mol
LogP5.91
Rot. Bonds7

About 5-(3,4-dimethoxyphenyl)-N-(2-propan-2-yloxyphenyl)thieno[2,3-d]pyrimidin-4-amine

5-(3,4-dimethoxyphenyl)-N-(2-propan-2-yloxyphenyl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 28695342) has the molecular formula C23H23N3O3S and a molecular weight of 421.52 g/mol. Its IUPAC name is 5-(3,4-dimethoxyphenyl)-N-(2-propan-2-yloxyphenyl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name5-(3,4-dimethoxyphenyl)-N-(2-propan-2-yloxyphenyl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID28695342
Molecular FormulaC23H23N3O3S
Molecular Weight421.52 g/mol
Exact Mass421.15
IUPAC Name5-(3,4-dimethoxyphenyl)-N-(2-propan-2-yloxyphenyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCOc1ccc(-c2csc3ncnc(Nc4ccccc4OC(C)C)c23)cc1OC
InChIInChI=1S/C23H23N3O3S/c1-14(2)29-18-8-6-5-7-17(18)26-22-21-16(12-30-23(21)25-13-24-22)15-9-10-19(27-3)20(11-15)28-4/h5-14H,1-4H3,(H,24,25,26)
InChIKeyBIGWRKHQNWYCAU-UHFFFAOYSA-N
XLogP5.91
TPSA65.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.52
LogP ≤ 55.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-(3,4-dimethoxyphenyl)-N-(2-propan-2-yloxyphenyl)thieno[2,3-d]pyrimidin-4-amine with MolForge

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Related Compounds

5-(3,4-dimethoxyphenyl)-N-(2-ethoxyphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 21010561
5-(4-fluorophenyl)-N-(2-methoxyphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 1194680
5-(3,4-dimethoxyphenyl)-N-(3-methoxyphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 21010174
5-(3,4-dimethoxyphenyl)-N-(4-phenoxyphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 21011253
2-[[5-(3,4-dimethoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]-4-methylphenol
CID 21011196
N-(3,4-dimethoxyphenyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 7636536
N-(2,5-dimethoxyphenyl)-5-(3,4-dimethylphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 21011399
1-[4-[[5-(3,4-dimethoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]phenyl]ethanone
CID 21009523
N-(2-phenoxyphenyl)-5-(4-propan-2-ylphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 28695605
methyl 2-[[5-(3,4-dimethylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]benzoate
CID 21011006
5-(3,4-dimethoxyphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 40773451
5-(3,4-dimethoxyphenyl)-N-(4-methoxy-3-nitrophenyl)thieno[2,3-d]pyrimidin-4-amine
CID 21010530

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dimethoxyphenyl)-N-(2-propan-2-yloxyphenyl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 5-(3,4-dimethoxyphenyl)-N-(2-propan-2-yloxyphenyl)thieno[2,3-d]pyrimidin-4-amine (CID 28695342) is 5-(3,4-dimethoxyphenyl)-N-(2-propan-2-yloxyphenyl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 5-(3,4-dimethoxyphenyl)-N-(2-propan-2-yloxyphenyl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 5-(3,4-dimethoxyphenyl)-N-(2-propan-2-yloxyphenyl)thieno[2,3-d]pyrimidin-4-amine is COc1ccc(-c2csc3ncnc(Nc4ccccc4OC(C)C)c23)cc1OC.
What is the InChIKey of 5-(3,4-dimethoxyphenyl)-N-(2-propan-2-yloxyphenyl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is BIGWRKHQNWYCAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O3S/c1-14(2)29-18-8-6-5-7-17(18)26-22-21-16(12-30-23(21)25-13-24-22)15-9-10-19(27-3)20(11-15)28-4/h5-14H,1-4H3,(H,24,25,26).
What are the key properties of 5-(3,4-dimethoxyphenyl)-N-(2-propan-2-yloxyphenyl)thieno[2,3-d]pyrimidin-4-amine?
5-(3,4-dimethoxyphenyl)-N-(2-propan-2-yloxyphenyl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 421.52 g/mol, XLogP of 5.91, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dimethoxyphenyl)-N-(2-propan-2-yloxyphenyl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 28695342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).