4-[[2-(2,2-difluoroethoxy)-3-pyridinyl]amino]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide

C15H13F2N5O2S — CID 53374986

IUPAC4-[[2-(2,2-difluoroethoxy)-3-pyridinyl]amino]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1c(C(N)=O)sc2ncnc(Nc3cccnc3OCC(F)F)c12
InChIInChI=1S/C15H13F2N5O2S/c1-7-10-13(20-6-21-15(10)25-11(7)12(18)23)22-8-3-2-4-19-14(8)24-5-9(16)17/h2-4,6,9H,5H2,1H3,(H2,18,23)(H,20,21,22)
InChIKeyQEFZCVYPLFFKAK-UHFFFAOYSA-N
MW365.37 g/mol
LogP2.88
Rot. Bonds6

About 4-[[2-(2,2-difluoroethoxy)-3-pyridinyl]amino]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide

4-[[2-(2,2-difluoroethoxy)-3-pyridinyl]amino]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 53374986) has the molecular formula C15H13F2N5O2S and a molecular weight of 365.37 g/mol. Its IUPAC name is 4-[[2-(2,2-difluoroethoxy)-3-pyridinyl]amino]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name4-[[2-(2,2-difluoroethoxy)-3-pyridinyl]amino]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID53374986
Molecular FormulaC15H13F2N5O2S
Molecular Weight365.37 g/mol
Exact Mass365.08
IUPAC Name4-[[2-(2,2-difluoroethoxy)-3-pyridinyl]amino]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1c(C(N)=O)sc2ncnc(Nc3cccnc3OCC(F)F)c12
InChIInChI=1S/C15H13F2N5O2S/c1-7-10-13(20-6-21-15(10)25-11(7)12(18)23)22-8-3-2-4-19-14(8)24-5-9(16)17/h2-4,6,9H,5H2,1H3,(H2,18,23)(H,20,21,22)
InChIKeyQEFZCVYPLFFKAK-UHFFFAOYSA-N
XLogP2.88
TPSA103.02 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.37
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-[[2-(2,2-difluoroethoxy)-3-pyridinyl]amino]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide 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 4-[[2-(2,2-difluoroethoxy)-3-pyridinyl]amino]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 4-[[2-(2,2-difluoroethoxy)-3-pyridinyl]amino]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide (CID 53374986) is 4-[[2-(2,2-difluoroethoxy)-3-pyridinyl]amino]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 4-[[2-(2,2-difluoroethoxy)-3-pyridinyl]amino]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 4-[[2-(2,2-difluoroethoxy)-3-pyridinyl]amino]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide is Cc1c(C(N)=O)sc2ncnc(Nc3cccnc3OCC(F)F)c12.
What is the InChIKey of 4-[[2-(2,2-difluoroethoxy)-3-pyridinyl]amino]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is QEFZCVYPLFFKAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F2N5O2S/c1-7-10-13(20-6-21-15(10)25-11(7)12(18)23)22-8-3-2-4-19-14(8)24-5-9(16)17/h2-4,6,9H,5H2,1H3,(H2,18,23)(H,20,21,22).
What are the key properties of 4-[[2-(2,2-difluoroethoxy)-3-pyridinyl]amino]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide?
4-[[2-(2,2-difluoroethoxy)-3-pyridinyl]amino]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 365.37 g/mol, XLogP of 2.88, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(2,2-difluoroethoxy)-3-pyridinyl]amino]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 53374986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).