6-[(4,4-difluoropiperidin-1-yl)methyl]-2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-4-amine

C17H18F2N4OS — CID 59276728

IUPAC6-[(4,4-difluoropiperidin-1-yl)methyl]-2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-4-amine
SMILESCc1ccc(-c2nc(N)c3cc(CN4CCC(F)(F)CC4)sc3n2)o1
InChIInChI=1S/C17H18F2N4OS/c1-10-2-3-13(24-10)15-21-14(20)12-8-11(25-16(12)22-15)9-23-6-4-17(18,19)5-7-23/h2-3,8H,4-7,9H2,1H3,(H2,20,21,22)
InChIKeyGYIZHRJDNMLVKC-UHFFFAOYSA-N
MW364.42 g/mol
LogP4.07
Rot. Bonds3

About 6-[(4,4-difluoropiperidin-1-yl)methyl]-2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-4-amine

6-[(4,4-difluoropiperidin-1-yl)methyl]-2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 59276728) has the molecular formula C17H18F2N4OS and a molecular weight of 364.42 g/mol. Its IUPAC name is 6-[(4,4-difluoropiperidin-1-yl)methyl]-2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-[(4,4-difluoropiperidin-1-yl)methyl]-2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID59276728
Molecular FormulaC17H18F2N4OS
Molecular Weight364.42 g/mol
Exact Mass364.12
IUPAC Name6-[(4,4-difluoropiperidin-1-yl)methyl]-2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-4-amine
SMILESCc1ccc(-c2nc(N)c3cc(CN4CCC(F)(F)CC4)sc3n2)o1
InChIInChI=1S/C17H18F2N4OS/c1-10-2-3-13(24-10)15-21-14(20)12-8-11(25-16(12)22-15)9-23-6-4-17(18,19)5-7-23/h2-3,8H,4-7,9H2,1H3,(H2,20,21,22)
InChIKeyGYIZHRJDNMLVKC-UHFFFAOYSA-N
XLogP4.07
TPSA68.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.42
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-[(4,4-difluoropiperidin-1-yl)methyl]-2-(5-methylfuran-2-yl)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

Frequently Asked Questions

What is the IUPAC name of 6-[(4,4-difluoropiperidin-1-yl)methyl]-2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 6-[(4,4-difluoropiperidin-1-yl)methyl]-2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-4-amine (CID 59276728) is 6-[(4,4-difluoropiperidin-1-yl)methyl]-2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 6-[(4,4-difluoropiperidin-1-yl)methyl]-2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 6-[(4,4-difluoropiperidin-1-yl)methyl]-2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-4-amine is Cc1ccc(-c2nc(N)c3cc(CN4CCC(F)(F)CC4)sc3n2)o1.
What is the InChIKey of 6-[(4,4-difluoropiperidin-1-yl)methyl]-2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is GYIZHRJDNMLVKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2N4OS/c1-10-2-3-13(24-10)15-21-14(20)12-8-11(25-16(12)22-15)9-23-6-4-17(18,19)5-7-23/h2-3,8H,4-7,9H2,1H3,(H2,20,21,22).
What are the key properties of 6-[(4,4-difluoropiperidin-1-yl)methyl]-2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-4-amine?
6-[(4,4-difluoropiperidin-1-yl)methyl]-2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 364.42 g/mol, XLogP of 4.07, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4,4-difluoropiperidin-1-yl)methyl]-2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 59276728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).