4-[(2R)-2-ethylpiperidin-1-yl]thieno[2,3-d]pyrimidine

C13H17N3S — CID 7838265

IUPAC4-[(2R)-2-ethylpiperidin-1-yl]thieno[2,3-d]pyrimidine
SMILESCC[C@@H]1CCCCN1c1ncnc2sccc12
InChIInChI=1S/C13H17N3S/c1-2-10-5-3-4-7-16(10)12-11-6-8-17-13(11)15-9-14-12/h6,8-10H,2-5,7H2,1H3/t10-/m1/s1
InChIKeyKLFRIQGXYWRAAC-SNVBAGLBSA-N
MW247.37 g/mol
LogP3.46
Rot. Bonds2

About 4-[(2R)-2-ethylpiperidin-1-yl]thieno[2,3-d]pyrimidine

4-[(2R)-2-ethylpiperidin-1-yl]thieno[2,3-d]pyrimidine (PubChem CID 7838265) has the molecular formula C13H17N3S and a molecular weight of 247.37 g/mol. Its IUPAC name is 4-[(2R)-2-ethylpiperidin-1-yl]thieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-[(2R)-2-ethylpiperidin-1-yl]thieno[2,3-d]pyrimidine
PubChem CID7838265
Molecular FormulaC13H17N3S
Molecular Weight247.37 g/mol
Exact Mass247.11
IUPAC Name4-[(2R)-2-ethylpiperidin-1-yl]thieno[2,3-d]pyrimidine
SMILESCC[C@@H]1CCCCN1c1ncnc2sccc12
InChIInChI=1S/C13H17N3S/c1-2-10-5-3-4-7-16(10)12-11-6-8-17-13(11)15-9-14-12/h6,8-10H,2-5,7H2,1H3/t10-/m1/s1
InChIKeyKLFRIQGXYWRAAC-SNVBAGLBSA-N
XLogP3.46
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.37
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(bromomethyl)piperidin-1-yl]thieno[2,3-d]pyrimidine
CID 80676014
2-[(2S)-1-thieno[2,3-d]pyrimidin-4-ylpiperidin-2-yl]ethanol
CID 8008870
(1-thieno[2,3-d]pyrimidin-4-ylpyrrolidin-2-yl)methanamine
CID 62591385
4-[(5aR,9aS)-2,3,4,5,5a,6,7,8,9,9a-decahydrobenzo[b]azepin-1-yl]thieno[2,3-d]pyrimidine
CID 97255565
4-[2-(3-chloropropyl)pyrrolidin-1-yl]thieno[2,3-d]pyrimidine
CID 63390203
1-thieno[2,3-d]pyrimidin-4-ylpiperidine-2-carboxylic acid
CID 43140039
4-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]thieno[2,3-d]pyrimidine
CID 95341463
4-(2-pyrrolidin-2-ylpiperidin-1-yl)thieno[2,3-d]pyrimidine
CID 63254204
(2R)-N,N-diethyl-1-thieno[2,3-d]pyrimidin-4-ylpyrrolidine-2-carboxamide
CID 95140151
4-(2-ethylpiperidin-1-yl)-6-fluoroquinazoline
CID 110433468
2-[[4-(2-ethylpiperidin-1-yl)quinazolin-7-yl]sulfonylmethyl]-1,3-thiazole
CID 148868426
(2S)-N-methyl-1-thieno[2,3-d]pyrimidin-4-ylpyrrolidine-2-carboxamide
CID 94207481

Frequently Asked Questions

What is the IUPAC name of 4-[(2R)-2-ethylpiperidin-1-yl]thieno[2,3-d]pyrimidine?
The IUPAC name of 4-[(2R)-2-ethylpiperidin-1-yl]thieno[2,3-d]pyrimidine (CID 7838265) is 4-[(2R)-2-ethylpiperidin-1-yl]thieno[2,3-d]pyrimidine.
What is the SMILES notation for 4-[(2R)-2-ethylpiperidin-1-yl]thieno[2,3-d]pyrimidine?
The canonical SMILES for 4-[(2R)-2-ethylpiperidin-1-yl]thieno[2,3-d]pyrimidine is CC[C@@H]1CCCCN1c1ncnc2sccc12.
What is the InChIKey of 4-[(2R)-2-ethylpiperidin-1-yl]thieno[2,3-d]pyrimidine?
The InChIKey is KLFRIQGXYWRAAC-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H17N3S/c1-2-10-5-3-4-7-16(10)12-11-6-8-17-13(11)15-9-14-12/h6,8-10H,2-5,7H2,1H3/t10-/m1/s1.
What are the key properties of 4-[(2R)-2-ethylpiperidin-1-yl]thieno[2,3-d]pyrimidine?
4-[(2R)-2-ethylpiperidin-1-yl]thieno[2,3-d]pyrimidine has a molecular weight of 247.37 g/mol, XLogP of 3.46, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R)-2-ethylpiperidin-1-yl]thieno[2,3-d]pyrimidine is sourced from PubChem (CID 7838265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).