5,6-dimethyl-4-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]thieno[2,3-d]pyrimidine

C17H20N4S2 — CID 97211592

IUPAC5,6-dimethyl-4-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]thieno[2,3-d]pyrimidine
SMILESCc1csc([C@H]2CCCCN2c2ncnc3sc(C)c(C)c23)n1
InChIInChI=1S/C17H20N4S2/c1-10-8-22-16(20-10)13-6-4-5-7-21(13)15-14-11(2)12(3)23-17(14)19-9-18-15/h8-9,13H,4-7H2,1-3H3/t13-/m1/s1
InChIKeyGJROWPDRMAVXJZ-CYBMUJFWSA-N
MW344.51 g/mol
LogP4.80
Rot. Bonds2

About 5,6-dimethyl-4-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]thieno[2,3-d]pyrimidine

5,6-dimethyl-4-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]thieno[2,3-d]pyrimidine (PubChem CID 97211592) has the molecular formula C17H20N4S2 and a molecular weight of 344.51 g/mol. Its IUPAC name is 5,6-dimethyl-4-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]thieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name5,6-dimethyl-4-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]thieno[2,3-d]pyrimidine
PubChem CID97211592
Molecular FormulaC17H20N4S2
Molecular Weight344.51 g/mol
Exact Mass344.11
IUPAC Name5,6-dimethyl-4-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]thieno[2,3-d]pyrimidine
SMILESCc1csc([C@H]2CCCCN2c2ncnc3sc(C)c(C)c23)n1
InChIInChI=1S/C17H20N4S2/c1-10-8-22-16(20-10)13-6-4-5-7-21(13)15-14-11(2)12(3)23-17(14)19-9-18-15/h8-9,13H,4-7H2,1-3H3/t13-/m1/s1
InChIKeyGJROWPDRMAVXJZ-CYBMUJFWSA-N
XLogP4.80
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.51
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[2-(2-chloroethyl)piperidin-1-yl]-5,6-dimethylthieno[2,3-d]pyrimidine
CID 63392508
5,6-dimethyl-4-[2-(2-methylphenyl)pyrrolidin-1-yl]thieno[2,3-d]pyrimidine
CID 71891726
1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 30273244
5,6-dimethyl-4-(3-methylpiperidin-1-yl)thieno[2,3-d]pyrimidine
CID 2973940
4-(3-bromopiperidin-1-yl)-5,6-dimethylthieno[2,3-d]pyrimidine
CID 80672734
4-(4-bromopiperidin-1-yl)-5,6-dimethylthieno[2,3-d]pyrimidine
CID 80673981
5,6-dimethyl-4-[(2R)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]thieno[2,3-d]pyrimidine
CID 95307765
5,6-dimethyl-4-[(2S)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]thieno[2,3-d]pyrimidine
CID 95307766
4-(1,4-diazepan-1-yl)-5,6-dimethylthieno[2,3-d]pyrimidine
CID 18526382
4-[4-(bromomethyl)piperidin-1-yl]-5,6-dimethylthieno[2,3-d]pyrimidine
CID 80670146
1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)pyrrolidin-3-amine
CID 62067433
1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-4-methylpiperidine-2-carboxylic acid
CID 114422383

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-4-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]thieno[2,3-d]pyrimidine?
The IUPAC name of 5,6-dimethyl-4-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]thieno[2,3-d]pyrimidine (CID 97211592) is 5,6-dimethyl-4-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]thieno[2,3-d]pyrimidine.
What is the SMILES notation for 5,6-dimethyl-4-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]thieno[2,3-d]pyrimidine?
The canonical SMILES for 5,6-dimethyl-4-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]thieno[2,3-d]pyrimidine is Cc1csc([C@H]2CCCCN2c2ncnc3sc(C)c(C)c23)n1.
What is the InChIKey of 5,6-dimethyl-4-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]thieno[2,3-d]pyrimidine?
The InChIKey is GJROWPDRMAVXJZ-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H20N4S2/c1-10-8-22-16(20-10)13-6-4-5-7-21(13)15-14-11(2)12(3)23-17(14)19-9-18-15/h8-9,13H,4-7H2,1-3H3/t13-/m1/s1.
What are the key properties of 5,6-dimethyl-4-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]thieno[2,3-d]pyrimidine?
5,6-dimethyl-4-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]thieno[2,3-d]pyrimidine has a molecular weight of 344.51 g/mol, XLogP of 4.80, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-4-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]thieno[2,3-d]pyrimidine is sourced from PubChem (CID 97211592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).