2-methyl-N-[1-[2-(trifluoromethyl)phenyl]ethyl]thieno[3,2-d]pyrimidin-4-amine

C16H14F3N3S — CID 135240143

IUPAC2-methyl-N-[1-[2-(trifluoromethyl)phenyl]ethyl]thieno[3,2-d]pyrimidin-4-amine
SMILESCc1nc(NC(C)c2ccccc2C(F)(F)F)c2sccc2n1
InChIInChI=1S/C16H14F3N3S/c1-9(11-5-3-4-6-12(11)16(17,18)19)20-15-14-13(7-8-23-14)21-10(2)22-15/h3-9H,1-2H3,(H,20,21,22)
InChIKeyHXFJNVKNROMLGZ-UHFFFAOYSA-N
MW337.37 g/mol
LogP5.19
Rot. Bonds3

About 2-methyl-N-[1-[2-(trifluoromethyl)phenyl]ethyl]thieno[3,2-d]pyrimidin-4-amine

2-methyl-N-[1-[2-(trifluoromethyl)phenyl]ethyl]thieno[3,2-d]pyrimidin-4-amine (PubChem CID 135240143) has the molecular formula C16H14F3N3S and a molecular weight of 337.37 g/mol. Its IUPAC name is 2-methyl-N-[1-[2-(trifluoromethyl)phenyl]ethyl]thieno[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-methyl-N-[1-[2-(trifluoromethyl)phenyl]ethyl]thieno[3,2-d]pyrimidin-4-amine
PubChem CID135240143
Molecular FormulaC16H14F3N3S
Molecular Weight337.37 g/mol
Exact Mass337.09
IUPAC Name2-methyl-N-[1-[2-(trifluoromethyl)phenyl]ethyl]thieno[3,2-d]pyrimidin-4-amine
SMILESCc1nc(NC(C)c2ccccc2C(F)(F)F)c2sccc2n1
InChIInChI=1S/C16H14F3N3S/c1-9(11-5-3-4-6-12(11)16(17,18)19)20-15-14-13(7-8-23-14)21-10(2)22-15/h3-9H,1-2H3,(H,20,21,22)
InChIKeyHXFJNVKNROMLGZ-UHFFFAOYSA-N
XLogP5.19
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.37
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[1-[2-(trifluoromethyl)phenyl]ethyl]thieno[3,2-d]pyrimidin-4-amine?
The IUPAC name of 2-methyl-N-[1-[2-(trifluoromethyl)phenyl]ethyl]thieno[3,2-d]pyrimidin-4-amine (CID 135240143) is 2-methyl-N-[1-[2-(trifluoromethyl)phenyl]ethyl]thieno[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for 2-methyl-N-[1-[2-(trifluoromethyl)phenyl]ethyl]thieno[3,2-d]pyrimidin-4-amine?
The canonical SMILES for 2-methyl-N-[1-[2-(trifluoromethyl)phenyl]ethyl]thieno[3,2-d]pyrimidin-4-amine is Cc1nc(NC(C)c2ccccc2C(F)(F)F)c2sccc2n1.
What is the InChIKey of 2-methyl-N-[1-[2-(trifluoromethyl)phenyl]ethyl]thieno[3,2-d]pyrimidin-4-amine?
The InChIKey is HXFJNVKNROMLGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3N3S/c1-9(11-5-3-4-6-12(11)16(17,18)19)20-15-14-13(7-8-23-14)21-10(2)22-15/h3-9H,1-2H3,(H,20,21,22).
What are the key properties of 2-methyl-N-[1-[2-(trifluoromethyl)phenyl]ethyl]thieno[3,2-d]pyrimidin-4-amine?
2-methyl-N-[1-[2-(trifluoromethyl)phenyl]ethyl]thieno[3,2-d]pyrimidin-4-amine has a molecular weight of 337.37 g/mol, XLogP of 5.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[1-[2-(trifluoromethyl)phenyl]ethyl]thieno[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 135240143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).