2-[difluoro-(4-fluorophenyl)methyl]-6-methyl-N-(5-methyl-1H-pyrazol-3-yl)thieno[2,3-d]pyrimidin-4-amine

C18H14F3N5S — CID 56928441

IUPAC2-[difluoro-(4-fluorophenyl)methyl]-6-methyl-N-(5-methyl-1H-pyrazol-3-yl)thieno[2,3-d]pyrimidin-4-amine
SMILESCc1cc(Nc2nc(C(F)(F)c3ccc(F)cc3)nc3sc(C)cc23)n[nH]1
InChIInChI=1S/C18H14F3N5S/c1-9-7-14(26-25-9)22-15-13-8-10(2)27-16(13)24-17(23-15)18(20,21)11-3-5-12(19)6-4-11/h3-8H,1-2H3,(H2,22,23,24,25,26)
InChIKeyJJVOTIIZNFDKHA-UHFFFAOYSA-N
MW389.41 g/mol
LogP5.05
Rot. Bonds4

About 2-[difluoro-(4-fluorophenyl)methyl]-6-methyl-N-(5-methyl-1H-pyrazol-3-yl)thieno[2,3-d]pyrimidin-4-amine

2-[difluoro-(4-fluorophenyl)methyl]-6-methyl-N-(5-methyl-1H-pyrazol-3-yl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 56928441) has the molecular formula C18H14F3N5S and a molecular weight of 389.41 g/mol. Its IUPAC name is 2-[difluoro-(4-fluorophenyl)methyl]-6-methyl-N-(5-methyl-1H-pyrazol-3-yl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-[difluoro-(4-fluorophenyl)methyl]-6-methyl-N-(5-methyl-1H-pyrazol-3-yl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID56928441
Molecular FormulaC18H14F3N5S
Molecular Weight389.41 g/mol
Exact Mass389.09
IUPAC Name2-[difluoro-(4-fluorophenyl)methyl]-6-methyl-N-(5-methyl-1H-pyrazol-3-yl)thieno[2,3-d]pyrimidin-4-amine
SMILESCc1cc(Nc2nc(C(F)(F)c3ccc(F)cc3)nc3sc(C)cc23)n[nH]1
InChIInChI=1S/C18H14F3N5S/c1-9-7-14(26-25-9)22-15-13-8-10(2)27-16(13)24-17(23-15)18(20,21)11-3-5-12(19)6-4-11/h3-8H,1-2H3,(H2,22,23,24,25,26)
InChIKeyJJVOTIIZNFDKHA-UHFFFAOYSA-N
XLogP5.05
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.41
LogP ≤ 55.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[difluoro-(4-fluorophenyl)methyl]-6-methyl-N-(5-methyl-1H-pyrazol-3-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 2-[difluoro-(4-fluorophenyl)methyl]-6-methyl-N-(5-methyl-1H-pyrazol-3-yl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-[difluoro-(4-fluorophenyl)methyl]-6-methyl-N-(5-methyl-1H-pyrazol-3-yl)thieno[2,3-d]pyrimidin-4-amine (CID 56928441) is 2-[difluoro-(4-fluorophenyl)methyl]-6-methyl-N-(5-methyl-1H-pyrazol-3-yl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-[difluoro-(4-fluorophenyl)methyl]-6-methyl-N-(5-methyl-1H-pyrazol-3-yl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-[difluoro-(4-fluorophenyl)methyl]-6-methyl-N-(5-methyl-1H-pyrazol-3-yl)thieno[2,3-d]pyrimidin-4-amine is Cc1cc(Nc2nc(C(F)(F)c3ccc(F)cc3)nc3sc(C)cc23)n[nH]1.
What is the InChIKey of 2-[difluoro-(4-fluorophenyl)methyl]-6-methyl-N-(5-methyl-1H-pyrazol-3-yl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is JJVOTIIZNFDKHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3N5S/c1-9-7-14(26-25-9)22-15-13-8-10(2)27-16(13)24-17(23-15)18(20,21)11-3-5-12(19)6-4-11/h3-8H,1-2H3,(H2,22,23,24,25,26).
What are the key properties of 2-[difluoro-(4-fluorophenyl)methyl]-6-methyl-N-(5-methyl-1H-pyrazol-3-yl)thieno[2,3-d]pyrimidin-4-amine?
2-[difluoro-(4-fluorophenyl)methyl]-6-methyl-N-(5-methyl-1H-pyrazol-3-yl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 389.41 g/mol, XLogP of 5.05, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[difluoro-(4-fluorophenyl)methyl]-6-methyl-N-(5-methyl-1H-pyrazol-3-yl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 56928441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).