ethyl 1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidine-3-carboxylate

C15H19N3O2S — CID 102687115

IUPACethyl 1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(c2ncnc3c(C)csc23)C1
InChIInChI=1S/C15H19N3O2S/c1-3-20-15(19)11-5-4-6-18(7-11)14-13-12(16-9-17-14)10(2)8-21-13/h8-9,11H,3-7H2,1-2H3
InChIKeySEJNWQKQNSODEP-UHFFFAOYSA-N
MW305.40 g/mol
LogP2.78
Rot. Bonds3

About ethyl 1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidine-3-carboxylate

ethyl 1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidine-3-carboxylate (PubChem CID 102687115) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is ethyl 1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidine-3-carboxylate
PubChem CID102687115
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC Nameethyl 1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(c2ncnc3c(C)csc23)C1
InChIInChI=1S/C15H19N3O2S/c1-3-20-15(19)11-5-4-6-18(7-11)14-13-12(16-9-17-14)10(2)8-21-13/h8-9,11H,3-7H2,1-2H3
InChIKeySEJNWQKQNSODEP-UHFFFAOYSA-N
XLogP2.78
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidine-3-carboxylic acid
CID 102685906
ethyl 1-(5-amino-6-pyrrolidin-1-ylpyrimidin-4-yl)piperidine-3-carboxylate
CID 19137273
[1-(7-methylthieno[3,2-d]pyrimidin-4-yl)pyrrolidin-3-yl]-pyrrolidin-1-ylmethanone
CID 166602843
ethyl 1-(1-ethyl-3-methylpyrazolo[4,5-d]pyrimidin-7-yl)piperidine-3-carboxylate
CID 56730294
1-(7-methylthieno[3,2-d]pyrimidin-4-yl)-N-(oxan-4-yl)piperidine-3-carboxamide
CID 166604692
7-methyl-4-[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]thieno[3,2-d]pyrimidine
CID 100700021
ethyl (3S)-1-(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-3-carboxylate
CID 133492847
ethyl 1-[5-amino-6-(ethylamino)pyrimidin-4-yl]piperidine-3-carboxylate
CID 19135200
7-methyl-4-[3-(pyrimidin-2-yloxymethyl)piperidin-1-yl]thieno[3,2-d]pyrimidine
CID 171691654
ethyl 1-[5-amino-6-(cycloheptylamino)pyrimidin-4-yl]piperidine-3-carboxylate
CID 19142332
ethyl (3R)-1-(6-formylquinazolin-4-yl)piperidine-3-carboxylate
CID 124514606
N,N-dimethyl-1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidine-4-carboxamide
CID 171691257

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidine-3-carboxylate?
The IUPAC name of ethyl 1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidine-3-carboxylate (CID 102687115) is ethyl 1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidine-3-carboxylate is CCOC(=O)C1CCCN(c2ncnc3c(C)csc23)C1.
What is the InChIKey of ethyl 1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidine-3-carboxylate?
The InChIKey is SEJNWQKQNSODEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-3-20-15(19)11-5-4-6-18(7-11)14-13-12(16-9-17-14)10(2)8-21-13/h8-9,11H,3-7H2,1-2H3.
What are the key properties of ethyl 1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidine-3-carboxylate?
ethyl 1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidine-3-carboxylate has a molecular weight of 305.40 g/mol, XLogP of 2.78, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidine-3-carboxylate is sourced from PubChem (CID 102687115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).