2-[(4-ethylpiperidin-1-yl)methyl]thieno[2,3-d]pyrimidin-4-amine

C14H20N4S — CID 62208113

IUPAC2-[(4-ethylpiperidin-1-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCCC1CCN(Cc2nc(N)c3ccsc3n2)CC1
InChIInChI=1S/C14H20N4S/c1-2-10-3-6-18(7-4-10)9-12-16-13(15)11-5-8-19-14(11)17-12/h5,8,10H,2-4,6-7,9H2,1H3,(H2,15,16,17)
InChIKeyZRDDMGJSVAFNCT-UHFFFAOYSA-N
MW276.41 g/mol
LogP2.90
Rot. Bonds3

About 2-[(4-ethylpiperidin-1-yl)methyl]thieno[2,3-d]pyrimidin-4-amine

2-[(4-ethylpiperidin-1-yl)methyl]thieno[2,3-d]pyrimidin-4-amine (PubChem CID 62208113) has the molecular formula C14H20N4S and a molecular weight of 276.41 g/mol. Its IUPAC name is 2-[(4-ethylpiperidin-1-yl)methyl]thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-[(4-ethylpiperidin-1-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
PubChem CID62208113
Molecular FormulaC14H20N4S
Molecular Weight276.41 g/mol
Exact Mass276.14
IUPAC Name2-[(4-ethylpiperidin-1-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCCC1CCN(Cc2nc(N)c3ccsc3n2)CC1
InChIInChI=1S/C14H20N4S/c1-2-10-3-6-18(7-4-10)9-12-16-13(15)11-5-8-19-14(11)17-12/h5,8,10H,2-4,6-7,9H2,1H3,(H2,15,16,17)
InChIKeyZRDDMGJSVAFNCT-UHFFFAOYSA-N
XLogP2.90
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.41
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[(4-ethylpiperidin-1-yl)methyl]thieno[2,3-d]pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-[(4-aminothieno[2,3-d]pyrimidin-2-yl)methyl]piperidin-4-yl]acetamide
CID 62209002
2-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 62182765
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 115561742
1-[(4-aminothieno[2,3-d]pyrimidin-2-yl)methyl]piperidin-3-ol
CID 62208261
2-[[(4-ethylcyclohexyl)-methylamino]methyl]thieno[2,3-d]pyrimidin-4-amine
CID 62208278
2-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]thieno[2,3-d]pyrimidin-4-amine
CID 63236440
2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 82753106
N-ethyl-2-[(4-methylpiperidin-1-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 62178585
2-[[4-(methoxymethyl)piperidin-1-yl]methyl]-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 63972968
2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 64579820
2-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 102886372
4-chloro-2-[(4-methylazepan-1-yl)methyl]thieno[2,3-d]pyrimidine
CID 63623906

Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethylpiperidin-1-yl)methyl]thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-[(4-ethylpiperidin-1-yl)methyl]thieno[2,3-d]pyrimidin-4-amine (CID 62208113) is 2-[(4-ethylpiperidin-1-yl)methyl]thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-[(4-ethylpiperidin-1-yl)methyl]thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-[(4-ethylpiperidin-1-yl)methyl]thieno[2,3-d]pyrimidin-4-amine is CCC1CCN(Cc2nc(N)c3ccsc3n2)CC1.
What is the InChIKey of 2-[(4-ethylpiperidin-1-yl)methyl]thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is ZRDDMGJSVAFNCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4S/c1-2-10-3-6-18(7-4-10)9-12-16-13(15)11-5-8-19-14(11)17-12/h5,8,10H,2-4,6-7,9H2,1H3,(H2,15,16,17).
What are the key properties of 2-[(4-ethylpiperidin-1-yl)methyl]thieno[2,3-d]pyrimidin-4-amine?
2-[(4-ethylpiperidin-1-yl)methyl]thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 276.41 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethylpiperidin-1-yl)methyl]thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 62208113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).