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

C16H16F2N4OS — CID 45278533

IUPAC6-[(3,3-difluoropiperidin-1-yl)methyl]-2-(furan-2-yl)thieno[2,3-d]pyrimidin-4-amine
SMILESNc1nc(-c2ccco2)nc2sc(CN3CCCC(F)(F)C3)cc12
InChIInChI=1S/C16H16F2N4OS/c17-16(18)4-2-5-22(9-16)8-10-7-11-13(19)20-14(21-15(11)24-10)12-3-1-6-23-12/h1,3,6-7H,2,4-5,8-9H2,(H2,19,20,21)
InChIKeyKYXCXHCFXDUHNI-UHFFFAOYSA-N
MW350.39 g/mol
LogP3.76
Rot. Bonds3

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

6-[(3,3-difluoropiperidin-1-yl)methyl]-2-(furan-2-yl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 45278533) has the molecular formula C16H16F2N4OS and a molecular weight of 350.39 g/mol. Its IUPAC name is 6-[(3,3-difluoropiperidin-1-yl)methyl]-2-(furan-2-yl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-[(3,3-difluoropiperidin-1-yl)methyl]-2-(furan-2-yl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID45278533
Molecular FormulaC16H16F2N4OS
Molecular Weight350.39 g/mol
Exact Mass350.10
IUPAC Name6-[(3,3-difluoropiperidin-1-yl)methyl]-2-(furan-2-yl)thieno[2,3-d]pyrimidin-4-amine
SMILESNc1nc(-c2ccco2)nc2sc(CN3CCCC(F)(F)C3)cc12
InChIInChI=1S/C16H16F2N4OS/c17-16(18)4-2-5-22(9-16)8-10-7-11-13(19)20-14(21-15(11)24-10)12-3-1-6-23-12/h1,3,6-7H,2,4-5,8-9H2,(H2,19,20,21)
InChIKeyKYXCXHCFXDUHNI-UHFFFAOYSA-N
XLogP3.76
TPSA68.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.39
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-[(3,3-difluoropiperidin-1-yl)methyl]-2-(furan-2-yl)thieno[2,3-d]pyrimidin-4-amine with MolForge

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Related Compounds

2-Furanyl-[4-(2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)-1-piperazinyl]methanone
CID 1434953
5-N-[(3-fluorophenyl)methyl]-2-(furan-2-yl)-[1,3]thiazolo[5,4-d]pyrimidine-5,7-diamine
CID 134142435
F1174-1718
CID 704116
6-Benzyl-2-(5-isopropyl-furan-2-yl)-thieno[2,3-d]pyrimidin-4-ylamine
CID 45274227
2-[5-(Difluoromethyl)furan-2-yl]-6-[(2-methoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 45274426
6-Benzyl-2-[5-(difluoromethyl)furan-2-yl]thieno[2,3-d]pyrimidin-4-amine
CID 45274431
6-Benzyl-2-(5-methyl-furan-2-yl)-thieno[2,3-d]pyrimidin-4-ylamine
CID 45275517
6-Benzyl-2-(5-ethyl-furan-2-yl)-thieno[2,3-d]pyrimidin-4-ylamine
CID 45275619
6-[(2-Methoxyphenyl)methyl]-2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-4-amine
CID 45275715
(+/-)-2-(5-Methyl-furan-2-yl)-6-(1-phenyl-ethyl)-thieno[2,3-d]pyrimidin-4-ylamine
CID 45275719
5-(4-Amino-6-benzyl-thieno[2,3-d]pyrimidin-2-yl)-furan-2-carbonitrile
CID 45275819
2-(5-Methylfuran-2-yl)-6-(2-phenylethyl)thieno[2,3-d]pyrimidin-4-amine
CID 45275823

Frequently Asked Questions

What is the IUPAC name of 6-[(3,3-difluoropiperidin-1-yl)methyl]-2-(furan-2-yl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 6-[(3,3-difluoropiperidin-1-yl)methyl]-2-(furan-2-yl)thieno[2,3-d]pyrimidin-4-amine (CID 45278533) is 6-[(3,3-difluoropiperidin-1-yl)methyl]-2-(furan-2-yl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 6-[(3,3-difluoropiperidin-1-yl)methyl]-2-(furan-2-yl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 6-[(3,3-difluoropiperidin-1-yl)methyl]-2-(furan-2-yl)thieno[2,3-d]pyrimidin-4-amine is Nc1nc(-c2ccco2)nc2sc(CN3CCCC(F)(F)C3)cc12.
What is the InChIKey of 6-[(3,3-difluoropiperidin-1-yl)methyl]-2-(furan-2-yl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is KYXCXHCFXDUHNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2N4OS/c17-16(18)4-2-5-22(9-16)8-10-7-11-13(19)20-14(21-15(11)24-10)12-3-1-6-23-12/h1,3,6-7H,2,4-5,8-9H2,(H2,19,20,21).
What are the key properties of 6-[(3,3-difluoropiperidin-1-yl)methyl]-2-(furan-2-yl)thieno[2,3-d]pyrimidin-4-amine?
6-[(3,3-difluoropiperidin-1-yl)methyl]-2-(furan-2-yl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 350.39 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3,3-difluoropiperidin-1-yl)methyl]-2-(furan-2-yl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 45278533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).