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

C18H19F3N4OS — CID 59276685

IUPAC2-(5-methylfuran-2-yl)-6-[[4-(trifluoromethyl)piperidin-1-yl]methyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCc1ccc(-c2nc(N)c3cc(CN4CCC(C(F)(F)F)CC4)sc3n2)o1
InChIInChI=1S/C18H19F3N4OS/c1-10-2-3-14(26-10)16-23-15(22)13-8-12(27-17(13)24-16)9-25-6-4-11(5-7-25)18(19,20)21/h2-3,8,11H,4-7,9H2,1H3,(H2,22,23,24)
InChIKeyYOFAUQFCNFCLPR-UHFFFAOYSA-N
MW396.44 g/mol
LogP4.62
Rot. Bonds3

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

2-(5-methylfuran-2-yl)-6-[[4-(trifluoromethyl)piperidin-1-yl]methyl]thieno[2,3-d]pyrimidin-4-amine (PubChem CID 59276685) has the molecular formula C18H19F3N4OS and a molecular weight of 396.44 g/mol. Its IUPAC name is 2-(5-methylfuran-2-yl)-6-[[4-(trifluoromethyl)piperidin-1-yl]methyl]thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(5-methylfuran-2-yl)-6-[[4-(trifluoromethyl)piperidin-1-yl]methyl]thieno[2,3-d]pyrimidin-4-amine
PubChem CID59276685
Molecular FormulaC18H19F3N4OS
Molecular Weight396.44 g/mol
Exact Mass396.12
IUPAC Name2-(5-methylfuran-2-yl)-6-[[4-(trifluoromethyl)piperidin-1-yl]methyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCc1ccc(-c2nc(N)c3cc(CN4CCC(C(F)(F)F)CC4)sc3n2)o1
InChIInChI=1S/C18H19F3N4OS/c1-10-2-3-14(26-10)16-23-15(22)13-8-12(27-17(13)24-16)9-25-6-4-11(5-7-25)18(19,20)21/h2-3,8,11H,4-7,9H2,1H3,(H2,22,23,24)
InChIKeyYOFAUQFCNFCLPR-UHFFFAOYSA-N
XLogP4.62
TPSA68.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.44
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methylfuran-2-yl)-6-[[4-(trifluoromethyl)piperidin-1-yl]methyl]thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-(5-methylfuran-2-yl)-6-[[4-(trifluoromethyl)piperidin-1-yl]methyl]thieno[2,3-d]pyrimidin-4-amine (CID 59276685) is 2-(5-methylfuran-2-yl)-6-[[4-(trifluoromethyl)piperidin-1-yl]methyl]thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-(5-methylfuran-2-yl)-6-[[4-(trifluoromethyl)piperidin-1-yl]methyl]thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-(5-methylfuran-2-yl)-6-[[4-(trifluoromethyl)piperidin-1-yl]methyl]thieno[2,3-d]pyrimidin-4-amine is Cc1ccc(-c2nc(N)c3cc(CN4CCC(C(F)(F)F)CC4)sc3n2)o1.
What is the InChIKey of 2-(5-methylfuran-2-yl)-6-[[4-(trifluoromethyl)piperidin-1-yl]methyl]thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is YOFAUQFCNFCLPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N4OS/c1-10-2-3-14(26-10)16-23-15(22)13-8-12(27-17(13)24-16)9-25-6-4-11(5-7-25)18(19,20)21/h2-3,8,11H,4-7,9H2,1H3,(H2,22,23,24).
What are the key properties of 2-(5-methylfuran-2-yl)-6-[[4-(trifluoromethyl)piperidin-1-yl]methyl]thieno[2,3-d]pyrimidin-4-amine?
2-(5-methylfuran-2-yl)-6-[[4-(trifluoromethyl)piperidin-1-yl]methyl]thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 396.44 g/mol, XLogP of 4.62, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methylfuran-2-yl)-6-[[4-(trifluoromethyl)piperidin-1-yl]methyl]thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 59276685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).