N,5-dimethyl-4-[[2-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]amino]thieno[2,3-d]pyrimidine-6-carboxamide

C17H16F3N5O2S — CID 53374894

IUPACN,5-dimethyl-4-[[2-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]amino]thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCNC(=O)c1sc2ncnc(Nc3cccnc3OC(C)C(F)(F)F)c2c1C
InChIInChI=1S/C17H16F3N5O2S/c1-8-11-13(23-7-24-16(11)28-12(8)14(26)21-3)25-10-5-4-6-22-15(10)27-9(2)17(18,19)20/h4-7,9H,1-3H3,(H,21,26)(H,23,24,25)
InChIKeyXQWPSVHEXMHXCD-UHFFFAOYSA-N
MW411.41 g/mol
LogP3.83
Rot. Bonds5

About N,5-dimethyl-4-[[2-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]amino]thieno[2,3-d]pyrimidine-6-carboxamide

N,5-dimethyl-4-[[2-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]amino]thieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 53374894) has the molecular formula C17H16F3N5O2S and a molecular weight of 411.41 g/mol. Its IUPAC name is N,5-dimethyl-4-[[2-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]amino]thieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN,5-dimethyl-4-[[2-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]amino]thieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID53374894
Molecular FormulaC17H16F3N5O2S
Molecular Weight411.41 g/mol
Exact Mass411.10
IUPAC NameN,5-dimethyl-4-[[2-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]amino]thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCNC(=O)c1sc2ncnc(Nc3cccnc3OC(C)C(F)(F)F)c2c1C
InChIInChI=1S/C17H16F3N5O2S/c1-8-11-13(23-7-24-16(11)28-12(8)14(26)21-3)25-10-5-4-6-22-15(10)27-9(2)17(18,19)20/h4-7,9H,1-3H3,(H,21,26)(H,23,24,25)
InChIKeyXQWPSVHEXMHXCD-UHFFFAOYSA-N
XLogP3.83
TPSA89.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.41
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N,5-dimethyl-4-[[2-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]amino]thieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of N,5-dimethyl-4-[[2-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]amino]thieno[2,3-d]pyrimidine-6-carboxamide (CID 53374894) is N,5-dimethyl-4-[[2-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]amino]thieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for N,5-dimethyl-4-[[2-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]amino]thieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for N,5-dimethyl-4-[[2-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]amino]thieno[2,3-d]pyrimidine-6-carboxamide is CNC(=O)c1sc2ncnc(Nc3cccnc3OC(C)C(F)(F)F)c2c1C.
What is the InChIKey of N,5-dimethyl-4-[[2-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]amino]thieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is XQWPSVHEXMHXCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N5O2S/c1-8-11-13(23-7-24-16(11)28-12(8)14(26)21-3)25-10-5-4-6-22-15(10)27-9(2)17(18,19)20/h4-7,9H,1-3H3,(H,21,26)(H,23,24,25).
What are the key properties of N,5-dimethyl-4-[[2-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]amino]thieno[2,3-d]pyrimidine-6-carboxamide?
N,5-dimethyl-4-[[2-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]amino]thieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 411.41 g/mol, XLogP of 3.83, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-dimethyl-4-[[2-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]amino]thieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 53374894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).