5-(3,4-dimethoxyphenyl)-2-methyl-4-(4-methylpiperidin-1-yl)thieno[2,3-d]pyrimidine

C21H25N3O2S — CID 2460969

IUPAC5-(3,4-dimethoxyphenyl)-2-methyl-4-(4-methylpiperidin-1-yl)thieno[2,3-d]pyrimidine
SMILESCOc1ccc(-c2csc3nc(C)nc(N4CCC(C)CC4)c23)cc1OC
InChIInChI=1S/C21H25N3O2S/c1-13-7-9-24(10-8-13)20-19-16(12-27-21(19)23-14(2)22-20)15-5-6-17(25-3)18(11-15)26-4/h5-6,11-13H,7-10H2,1-4H3
InChIKeyQAXNAVOAQMKWLX-UHFFFAOYSA-N
MW383.52 g/mol
LogP4.92
Rot. Bonds4

About 5-(3,4-dimethoxyphenyl)-2-methyl-4-(4-methylpiperidin-1-yl)thieno[2,3-d]pyrimidine

5-(3,4-dimethoxyphenyl)-2-methyl-4-(4-methylpiperidin-1-yl)thieno[2,3-d]pyrimidine (PubChem CID 2460969) has the molecular formula C21H25N3O2S and a molecular weight of 383.52 g/mol. Its IUPAC name is 5-(3,4-dimethoxyphenyl)-2-methyl-4-(4-methylpiperidin-1-yl)thieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name5-(3,4-dimethoxyphenyl)-2-methyl-4-(4-methylpiperidin-1-yl)thieno[2,3-d]pyrimidine
PubChem CID2460969
Molecular FormulaC21H25N3O2S
Molecular Weight383.52 g/mol
Exact Mass383.17
IUPAC Name5-(3,4-dimethoxyphenyl)-2-methyl-4-(4-methylpiperidin-1-yl)thieno[2,3-d]pyrimidine
SMILESCOc1ccc(-c2csc3nc(C)nc(N4CCC(C)CC4)c23)cc1OC
InChIInChI=1S/C21H25N3O2S/c1-13-7-9-24(10-8-13)20-19-16(12-27-21(19)23-14(2)22-20)15-5-6-17(25-3)18(11-15)26-4/h5-6,11-13H,7-10H2,1-4H3
InChIKeyQAXNAVOAQMKWLX-UHFFFAOYSA-N
XLogP4.92
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.52
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-[4-[5-(3,4-dimethoxyphenyl)-2-methylthieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]phenyl]ethanone
CID 4882649
(3S)-1-[5-(3,4-dimethoxyphenyl)-2-methylthieno[2,3-d]pyrimidin-4-yl]-N-pyridin-2-ylpiperidine-3-carboxamide
CID 51961127
4-(4-methylpiperidin-1-yl)-5-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidine
CID 2575882
4-(4-methylpiperidin-1-yl)-5-phenylthieno[2,3-d]pyrimidine
CID 675438
4-(3,4-dimethoxyphenyl)-6-(4-methoxyphenyl)-2-(4-methylpiperidin-1-yl)pyrimidine
CID 2854346
4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-5-(3,4-dimethoxyphenyl)-2-methylthieno[2,3-d]pyrimidine
CID 2503896
1-[5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]piperidine-4-carboxamide
CID 2457611
4-(3,4-dimethoxyphenyl)-2-(4-methylpiperidin-1-yl)-6-phenylpyrimidine
CID 2854001
2-[4-[5-(4-ethylphenyl)-2-methylthieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]ethanol
CID 28848470
1-[(3S)-1-[7-(3,4-dimethoxyphenyl)-2-methylthieno[3,4-d]pyrimidin-4-yl]pyrrolidin-3-yl]propan-2-one
CID 157401315
5-(3,4-dimethoxyphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 40773451
[(3S)-1-(2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-yl]methanol
CID 9311243

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dimethoxyphenyl)-2-methyl-4-(4-methylpiperidin-1-yl)thieno[2,3-d]pyrimidine?
The IUPAC name of 5-(3,4-dimethoxyphenyl)-2-methyl-4-(4-methylpiperidin-1-yl)thieno[2,3-d]pyrimidine (CID 2460969) is 5-(3,4-dimethoxyphenyl)-2-methyl-4-(4-methylpiperidin-1-yl)thieno[2,3-d]pyrimidine.
What is the SMILES notation for 5-(3,4-dimethoxyphenyl)-2-methyl-4-(4-methylpiperidin-1-yl)thieno[2,3-d]pyrimidine?
The canonical SMILES for 5-(3,4-dimethoxyphenyl)-2-methyl-4-(4-methylpiperidin-1-yl)thieno[2,3-d]pyrimidine is COc1ccc(-c2csc3nc(C)nc(N4CCC(C)CC4)c23)cc1OC.
What is the InChIKey of 5-(3,4-dimethoxyphenyl)-2-methyl-4-(4-methylpiperidin-1-yl)thieno[2,3-d]pyrimidine?
The InChIKey is QAXNAVOAQMKWLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2S/c1-13-7-9-24(10-8-13)20-19-16(12-27-21(19)23-14(2)22-20)15-5-6-17(25-3)18(11-15)26-4/h5-6,11-13H,7-10H2,1-4H3.
What are the key properties of 5-(3,4-dimethoxyphenyl)-2-methyl-4-(4-methylpiperidin-1-yl)thieno[2,3-d]pyrimidine?
5-(3,4-dimethoxyphenyl)-2-methyl-4-(4-methylpiperidin-1-yl)thieno[2,3-d]pyrimidine has a molecular weight of 383.52 g/mol, XLogP of 4.92, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dimethoxyphenyl)-2-methyl-4-(4-methylpiperidin-1-yl)thieno[2,3-d]pyrimidine is sourced from PubChem (CID 2460969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).