methyl (3R)-1-(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-3-carboxylate

C15H19N3O2S — CID 133484605

IUPACmethyl (3R)-1-(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-3-carboxylate
SMILESCOC(=O)[C@@H]1CCCN(c2nc(C)nc3scc(C)c23)C1
InChIInChI=1S/C15H19N3O2S/c1-9-8-21-14-12(9)13(16-10(2)17-14)18-6-4-5-11(7-18)15(19)20-3/h8,11H,4-7H2,1-3H3/t11-/m1/s1
InChIKeyCJXBTGWOLRZMRZ-LLVKDONJSA-N
MW305.40 g/mol
LogP2.70
Rot. Bonds2

About methyl (3R)-1-(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-3-carboxylate

methyl (3R)-1-(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-3-carboxylate (PubChem CID 133484605) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is methyl (3R)-1-(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-3-carboxylate.

Molecular Properties

Compound Namemethyl (3R)-1-(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-3-carboxylate
PubChem CID133484605
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC Namemethyl (3R)-1-(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-3-carboxylate
SMILESCOC(=O)[C@@H]1CCCN(c2nc(C)nc3scc(C)c23)C1
InChIInChI=1S/C15H19N3O2S/c1-9-8-21-14-12(9)13(16-10(2)17-14)18-6-4-5-11(7-18)15(19)20-3/h8,11H,4-7H2,1-3H3/t11-/m1/s1
InChIKeyCJXBTGWOLRZMRZ-LLVKDONJSA-N
XLogP2.70
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl (3S)-1-(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-3-carboxylate
CID 133492847
methyl 1-(2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)piperidine-3-carboxylate
CID 17433348
(2R)-1-(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)pyrrolidine-2-carboxylic acid
CID 122051751
methyl 4-(3-carbamoylpiperidin-1-yl)-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate
CID 47005276
methyl (3S)-1-(3-methylquinoxalin-2-yl)piperidine-3-carboxylate
CID 133326631
methyl 1-(5-chloropyrimidin-4-yl)piperidine-3-carboxylate
CID 105370413
methyl 1-(3-carbamoyl-4,6-dimethyl-2-pyridinyl)piperidine-3-carboxylate
CID 78920412
methyl (3S)-1-(2-pyrazin-2-yl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)piperidine-3-carboxylate
CID 133326550
methyl 1-(2,6-dimethyl-4-pyridinyl)piperidine-3-carboxylate
CID 114272253
(3S)-1-(10-methyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl)piperidine-3-carboxylate
CID 2509834
2,5-dimethyl-4-[3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]thieno[2,3-d]pyrimidine
CID 133492865
(3S)-1-[5-(3,4-dimethoxyphenyl)-2-methylthieno[2,3-d]pyrimidin-4-yl]-N-pyridin-2-ylpiperidine-3-carboxamide
CID 51961127

Frequently Asked Questions

What is the IUPAC name of methyl (3R)-1-(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-3-carboxylate?
The IUPAC name of methyl (3R)-1-(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-3-carboxylate (CID 133484605) is methyl (3R)-1-(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-3-carboxylate.
What is the SMILES notation for methyl (3R)-1-(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-3-carboxylate?
The canonical SMILES for methyl (3R)-1-(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-3-carboxylate is COC(=O)[C@@H]1CCCN(c2nc(C)nc3scc(C)c23)C1.
What is the InChIKey of methyl (3R)-1-(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-3-carboxylate?
The InChIKey is CJXBTGWOLRZMRZ-LLVKDONJSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-9-8-21-14-12(9)13(16-10(2)17-14)18-6-4-5-11(7-18)15(19)20-3/h8,11H,4-7H2,1-3H3/t11-/m1/s1.
What are the key properties of methyl (3R)-1-(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-3-carboxylate?
methyl (3R)-1-(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-3-carboxylate has a molecular weight of 305.40 g/mol, XLogP of 2.70, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3R)-1-(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-3-carboxylate is sourced from PubChem (CID 133484605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).