2-methyl-1-thieno[2,3-d]pyrimidin-4-ylpiperidin-4-amine

C12H16N4S — CID 115313394

IUPAC2-methyl-1-thieno[2,3-d]pyrimidin-4-ylpiperidin-4-amine
SMILESCC1CC(N)CCN1c1ncnc2sccc12
InChIInChI=1S/C12H16N4S/c1-8-6-9(13)2-4-16(8)11-10-3-5-17-12(10)15-7-14-11/h3,5,7-9H,2,4,6,13H2,1H3
InChIKeyBBAUGFYMOQXMFG-UHFFFAOYSA-N
MW248.35 g/mol
LogP2.01
Rot. Bonds1

About 2-methyl-1-thieno[2,3-d]pyrimidin-4-ylpiperidin-4-amine

2-methyl-1-thieno[2,3-d]pyrimidin-4-ylpiperidin-4-amine (PubChem CID 115313394) has the molecular formula C12H16N4S and a molecular weight of 248.35 g/mol. Its IUPAC name is 2-methyl-1-thieno[2,3-d]pyrimidin-4-ylpiperidin-4-amine.

Molecular Properties

Compound Name2-methyl-1-thieno[2,3-d]pyrimidin-4-ylpiperidin-4-amine
PubChem CID115313394
Molecular FormulaC12H16N4S
Molecular Weight248.35 g/mol
Exact Mass248.11
IUPAC Name2-methyl-1-thieno[2,3-d]pyrimidin-4-ylpiperidin-4-amine
SMILESCC1CC(N)CCN1c1ncnc2sccc12
InChIInChI=1S/C12H16N4S/c1-8-6-9(13)2-4-16(8)11-10-3-5-17-12(10)15-7-14-11/h3,5,7-9H,2,4,6,13H2,1H3
InChIKeyBBAUGFYMOQXMFG-UHFFFAOYSA-N
XLogP2.01
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 ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-thieno[2,3-d]pyrimidin-4-ylpiperidin-4-amine?
The IUPAC name of 2-methyl-1-thieno[2,3-d]pyrimidin-4-ylpiperidin-4-amine (CID 115313394) is 2-methyl-1-thieno[2,3-d]pyrimidin-4-ylpiperidin-4-amine.
What is the SMILES notation for 2-methyl-1-thieno[2,3-d]pyrimidin-4-ylpiperidin-4-amine?
The canonical SMILES for 2-methyl-1-thieno[2,3-d]pyrimidin-4-ylpiperidin-4-amine is CC1CC(N)CCN1c1ncnc2sccc12.
What is the InChIKey of 2-methyl-1-thieno[2,3-d]pyrimidin-4-ylpiperidin-4-amine?
The InChIKey is BBAUGFYMOQXMFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4S/c1-8-6-9(13)2-4-16(8)11-10-3-5-17-12(10)15-7-14-11/h3,5,7-9H,2,4,6,13H2,1H3.
What are the key properties of 2-methyl-1-thieno[2,3-d]pyrimidin-4-ylpiperidin-4-amine?
2-methyl-1-thieno[2,3-d]pyrimidin-4-ylpiperidin-4-amine has a molecular weight of 248.35 g/mol, XLogP of 2.01, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-thieno[2,3-d]pyrimidin-4-ylpiperidin-4-amine is sourced from PubChem (CID 115313394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).