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

C12H16N4S — CID 103323791

IUPAC4-(4-methylpiperidin-1-yl)thieno[2,3-d]pyrimidin-2-amine
SMILESCC1CCN(c2nc(N)nc3sccc23)CC1
InChIInChI=1S/C12H16N4S/c1-8-2-5-16(6-3-8)10-9-4-7-17-11(9)15-12(13)14-10/h4,7-8H,2-3,5-6H2,1H3,(H2,13,14,15)
InChIKeyWQLSZMMPZCNDBC-UHFFFAOYSA-N
MW248.35 g/mol
LogP2.51
Rot. Bonds1

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

4-(4-methylpiperidin-1-yl)thieno[2,3-d]pyrimidin-2-amine (PubChem CID 103323791) has the molecular formula C12H16N4S and a molecular weight of 248.35 g/mol. Its IUPAC name is 4-(4-methylpiperidin-1-yl)thieno[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound Name4-(4-methylpiperidin-1-yl)thieno[2,3-d]pyrimidin-2-amine
PubChem CID103323791
Molecular FormulaC12H16N4S
Molecular Weight248.35 g/mol
Exact Mass248.11
IUPAC Name4-(4-methylpiperidin-1-yl)thieno[2,3-d]pyrimidin-2-amine
SMILESCC1CCN(c2nc(N)nc3sccc23)CC1
InChIInChI=1S/C12H16N4S/c1-8-2-5-16(6-3-8)10-9-4-7-17-11(9)15-12(13)14-10/h4,7-8H,2-3,5-6H2,1H3,(H2,13,14,15)
InChIKeyWQLSZMMPZCNDBC-UHFFFAOYSA-N
XLogP2.51
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4,4-dimethylpiperidin-1-yl)thieno[2,3-d]pyrimidin-2-amine
CID 103327459
N-ethyl-4-(4-methylpiperidin-1-yl)thieno[2,3-d]pyrimidin-2-amine
CID 103323789
4-(2,3-dimethylpiperidin-1-yl)thieno[2,3-d]pyrimidin-2-amine
CID 103327122
6-methyl-4-(4-methylpiperidin-1-yl)thieno[2,3-d]pyrimidin-2-amine
CID 103323793
4-(4-butan-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidin-2-amine
CID 103327357
4-[4-(2-aminothieno[2,3-d]pyrimidin-4-yl)piperazine-1-carbonyl]piperidine-1-carboxylic acid
CID 118611809
6-methyl-4-(4-methylazepan-1-yl)thieno[2,3-d]pyrimidin-2-amine
CID 103327825
[4-(2-aminothieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone
CID 71514588
1-(2-methylthieno[2,3-d]pyrimidin-4-yl)azepan-4-amine
CID 56897575
[1-(2-aminothieno[2,3-d]pyrimidin-4-yl)piperidin-2-yl]methanol
CID 103325517
4-(azepan-1-yl)-2-methylthieno[2,3-d]pyrimidine
CID 2238996
2-methyl-4-(4-thiomorpholin-4-ylpiperidin-1-yl)thieno[2,3-d]pyrimidine
CID 72928054

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylpiperidin-1-yl)thieno[2,3-d]pyrimidin-2-amine?
The IUPAC name of 4-(4-methylpiperidin-1-yl)thieno[2,3-d]pyrimidin-2-amine (CID 103323791) is 4-(4-methylpiperidin-1-yl)thieno[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for 4-(4-methylpiperidin-1-yl)thieno[2,3-d]pyrimidin-2-amine?
The canonical SMILES for 4-(4-methylpiperidin-1-yl)thieno[2,3-d]pyrimidin-2-amine is CC1CCN(c2nc(N)nc3sccc23)CC1.
What is the InChIKey of 4-(4-methylpiperidin-1-yl)thieno[2,3-d]pyrimidin-2-amine?
The InChIKey is WQLSZMMPZCNDBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4S/c1-8-2-5-16(6-3-8)10-9-4-7-17-11(9)15-12(13)14-10/h4,7-8H,2-3,5-6H2,1H3,(H2,13,14,15).
What are the key properties of 4-(4-methylpiperidin-1-yl)thieno[2,3-d]pyrimidin-2-amine?
4-(4-methylpiperidin-1-yl)thieno[2,3-d]pyrimidin-2-amine has a molecular weight of 248.35 g/mol, XLogP of 2.51, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylpiperidin-1-yl)thieno[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 103323791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).