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

C15H19N3O2S — CID 102685971

IUPAC4-ethyl-1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidine-4-carboxylic acid
SMILESCCC1(C(=O)O)CCN(c2ncnc3c(C)csc23)CC1
InChIInChI=1S/C15H19N3O2S/c1-3-15(14(19)20)4-6-18(7-5-15)13-12-11(16-9-17-13)10(2)8-21-12/h8-9H,3-7H2,1-2H3,(H,19,20)
InChIKeySCHGJRGESRFEIN-UHFFFAOYSA-N
MW305.40 g/mol
LogP3.08
Rot. Bonds3

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

4-ethyl-1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidine-4-carboxylic acid (PubChem CID 102685971) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is 4-ethyl-1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-ethyl-1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidine-4-carboxylic acid
PubChem CID102685971
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC Name4-ethyl-1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidine-4-carboxylic acid
SMILESCCC1(C(=O)O)CCN(c2ncnc3c(C)csc23)CC1
InChIInChI=1S/C15H19N3O2S/c1-3-15(14(19)20)4-6-18(7-5-15)13-12-11(16-9-17-13)10(2)8-21-12/h8-9H,3-7H2,1-2H3,(H,19,20)
InChIKeySCHGJRGESRFEIN-UHFFFAOYSA-N
XLogP3.08
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-yl]oxyacetic acid
CID 102685980
1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-ol
CID 102687010
2-[4-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperazin-1-yl]ethanol
CID 102687009
3-ethyl-1-thieno[3,2-d]pyrimidin-4-ylpyrrolidine-3-carboxylic acid
CID 63147377
4-ethyl-1-(6-methylpyrimidin-4-yl)piperidine-4-carboxylic acid
CID 63125900
1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidine-3-carboxylic acid
CID 102685906
N,N-dimethyl-1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidine-4-carboxamide
CID 171691257
[1-(7-methylthieno[3,2-d]pyrimidin-4-yl)azetidin-3-yl]methanol
CID 102687035
1-(7-methylthieno[3,2-d]pyrimidin-4-yl)azetidin-3-ol
CID 102687027
4-(4-butylpiperidin-1-yl)-7-methylthieno[3,2-d]pyrimidine
CID 23381410
ethyl 1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidine-3-carboxylate
CID 102687115
(3S,4S)-4-methyl-9-(7-methylthieno[3,2-d]pyrimidin-4-yl)-1-oxa-9-azaspiro[5.5]undecane-3,4-diol
CID 135108995

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidine-4-carboxylic acid?
The IUPAC name of 4-ethyl-1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidine-4-carboxylic acid (CID 102685971) is 4-ethyl-1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidine-4-carboxylic acid.
What is the SMILES notation for 4-ethyl-1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidine-4-carboxylic acid?
The canonical SMILES for 4-ethyl-1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidine-4-carboxylic acid is CCC1(C(=O)O)CCN(c2ncnc3c(C)csc23)CC1.
What is the InChIKey of 4-ethyl-1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidine-4-carboxylic acid?
The InChIKey is SCHGJRGESRFEIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-3-15(14(19)20)4-6-18(7-5-15)13-12-11(16-9-17-13)10(2)8-21-12/h8-9H,3-7H2,1-2H3,(H,19,20).
What are the key properties of 4-ethyl-1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidine-4-carboxylic acid?
4-ethyl-1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidine-4-carboxylic acid has a molecular weight of 305.40 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidine-4-carboxylic acid is sourced from PubChem (CID 102685971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).