4-(3-ethylpiperidin-1-yl)-6-methylthieno[2,3-d]pyrimidine

C14H19N3S — CID 133409285

IUPAC4-(3-ethylpiperidin-1-yl)-6-methylthieno[2,3-d]pyrimidine
SMILESCCC1CCCN(c2ncnc3sc(C)cc23)C1
InChIInChI=1S/C14H19N3S/c1-3-11-5-4-6-17(8-11)13-12-7-10(2)18-14(12)16-9-15-13/h7,9,11H,3-6,8H2,1-2H3
InChIKeyHVKPWEDSESXKOO-UHFFFAOYSA-N
MW261.39 g/mol
LogP3.63
Rot. Bonds2

About 4-(3-ethylpiperidin-1-yl)-6-methylthieno[2,3-d]pyrimidine

4-(3-ethylpiperidin-1-yl)-6-methylthieno[2,3-d]pyrimidine (PubChem CID 133409285) has the molecular formula C14H19N3S and a molecular weight of 261.39 g/mol. Its IUPAC name is 4-(3-ethylpiperidin-1-yl)-6-methylthieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-(3-ethylpiperidin-1-yl)-6-methylthieno[2,3-d]pyrimidine
PubChem CID133409285
Molecular FormulaC14H19N3S
Molecular Weight261.39 g/mol
Exact Mass261.13
IUPAC Name4-(3-ethylpiperidin-1-yl)-6-methylthieno[2,3-d]pyrimidine
SMILESCCC1CCCN(c2ncnc3sc(C)cc23)C1
InChIInChI=1S/C14H19N3S/c1-3-11-5-4-6-17(8-11)13-12-7-10(2)18-14(12)16-9-15-13/h7,9,11H,3-6,8H2,1-2H3
InChIKeyHVKPWEDSESXKOO-UHFFFAOYSA-N
XLogP3.63
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-methyl-4-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]thieno[2,3-d]pyrimidine
CID 133408657
6-methyl-4-piperidin-1-ylthieno[2,3-d]pyrimidine
CID 2229510
4-[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-6-methylthieno[2,3-d]pyrimidine
CID 133487158
4-[4-(chloromethyl)piperidin-1-yl]-6-methylthieno[2,3-d]pyrimidine
CID 63618427
1-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-amine
CID 63616717
4-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-6-methylthieno[2,3-d]pyrimidine
CID 115314651
(3S,4S)-3-hydroxy-1-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxylic acid
CID 135113953
N-[[1-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methyl]propan-1-amine
CID 63618240
1-(6-methylthieno[2,3-d]pyrimidin-4-yl)-N-phenylpiperidine-3-carboxamide
CID 133408219
6-methyl-4-[4-(2-methylpropyl)piperazin-1-yl]thieno[2,3-d]pyrimidine
CID 133407641
1-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]butan-1-one
CID 39072808
4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-6-ethylthieno[2,3-d]pyrimidine
CID 47184707

Frequently Asked Questions

What is the IUPAC name of 4-(3-ethylpiperidin-1-yl)-6-methylthieno[2,3-d]pyrimidine?
The IUPAC name of 4-(3-ethylpiperidin-1-yl)-6-methylthieno[2,3-d]pyrimidine (CID 133409285) is 4-(3-ethylpiperidin-1-yl)-6-methylthieno[2,3-d]pyrimidine.
What is the SMILES notation for 4-(3-ethylpiperidin-1-yl)-6-methylthieno[2,3-d]pyrimidine?
The canonical SMILES for 4-(3-ethylpiperidin-1-yl)-6-methylthieno[2,3-d]pyrimidine is CCC1CCCN(c2ncnc3sc(C)cc23)C1.
What is the InChIKey of 4-(3-ethylpiperidin-1-yl)-6-methylthieno[2,3-d]pyrimidine?
The InChIKey is HVKPWEDSESXKOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3S/c1-3-11-5-4-6-17(8-11)13-12-7-10(2)18-14(12)16-9-15-13/h7,9,11H,3-6,8H2,1-2H3.
What are the key properties of 4-(3-ethylpiperidin-1-yl)-6-methylthieno[2,3-d]pyrimidine?
4-(3-ethylpiperidin-1-yl)-6-methylthieno[2,3-d]pyrimidine has a molecular weight of 261.39 g/mol, XLogP of 3.63, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethylpiperidin-1-yl)-6-methylthieno[2,3-d]pyrimidine is sourced from PubChem (CID 133409285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).