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

C18H17F3N4S — CID 135240154

IUPAC2-pyrrolidin-1-yl-N-[[2-(trifluoromethyl)phenyl]methyl]thieno[3,2-d]pyrimidin-4-amine
SMILESFC(F)(F)c1ccccc1CNc1nc(N2CCCC2)nc2ccsc12
InChIInChI=1S/C18H17F3N4S/c19-18(20,21)13-6-2-1-5-12(13)11-22-16-15-14(7-10-26-15)23-17(24-16)25-8-3-4-9-25/h1-2,5-7,10H,3-4,8-9,11H2,(H,22,23,24)
InChIKeyIWZLCHPHFKOECP-UHFFFAOYSA-N
MW378.42 g/mol
LogP4.92
Rot. Bonds4

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

2-pyrrolidin-1-yl-N-[[2-(trifluoromethyl)phenyl]methyl]thieno[3,2-d]pyrimidin-4-amine (PubChem CID 135240154) has the molecular formula C18H17F3N4S and a molecular weight of 378.42 g/mol. Its IUPAC name is 2-pyrrolidin-1-yl-N-[[2-(trifluoromethyl)phenyl]methyl]thieno[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-pyrrolidin-1-yl-N-[[2-(trifluoromethyl)phenyl]methyl]thieno[3,2-d]pyrimidin-4-amine
PubChem CID135240154
Molecular FormulaC18H17F3N4S
Molecular Weight378.42 g/mol
Exact Mass378.11
IUPAC Name2-pyrrolidin-1-yl-N-[[2-(trifluoromethyl)phenyl]methyl]thieno[3,2-d]pyrimidin-4-amine
SMILESFC(F)(F)c1ccccc1CNc1nc(N2CCCC2)nc2ccsc12
InChIInChI=1S/C18H17F3N4S/c19-18(20,21)13-6-2-1-5-12(13)11-22-16-15-14(7-10-26-15)23-17(24-16)25-8-3-4-9-25/h1-2,5-7,10H,3-4,8-9,11H2,(H,22,23,24)
InChIKeyIWZLCHPHFKOECP-UHFFFAOYSA-N
XLogP4.92
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.42
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-pyrrolidin-1-yl-N-[[2-(trifluoromethyl)phenyl]methyl]thieno[3,2-d]pyrimidin-4-amine?
The IUPAC name of 2-pyrrolidin-1-yl-N-[[2-(trifluoromethyl)phenyl]methyl]thieno[3,2-d]pyrimidin-4-amine (CID 135240154) is 2-pyrrolidin-1-yl-N-[[2-(trifluoromethyl)phenyl]methyl]thieno[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for 2-pyrrolidin-1-yl-N-[[2-(trifluoromethyl)phenyl]methyl]thieno[3,2-d]pyrimidin-4-amine?
The canonical SMILES for 2-pyrrolidin-1-yl-N-[[2-(trifluoromethyl)phenyl]methyl]thieno[3,2-d]pyrimidin-4-amine is FC(F)(F)c1ccccc1CNc1nc(N2CCCC2)nc2ccsc12.
What is the InChIKey of 2-pyrrolidin-1-yl-N-[[2-(trifluoromethyl)phenyl]methyl]thieno[3,2-d]pyrimidin-4-amine?
The InChIKey is IWZLCHPHFKOECP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N4S/c19-18(20,21)13-6-2-1-5-12(13)11-22-16-15-14(7-10-26-15)23-17(24-16)25-8-3-4-9-25/h1-2,5-7,10H,3-4,8-9,11H2,(H,22,23,24).
What are the key properties of 2-pyrrolidin-1-yl-N-[[2-(trifluoromethyl)phenyl]methyl]thieno[3,2-d]pyrimidin-4-amine?
2-pyrrolidin-1-yl-N-[[2-(trifluoromethyl)phenyl]methyl]thieno[3,2-d]pyrimidin-4-amine has a molecular weight of 378.42 g/mol, XLogP of 4.92, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrrolidin-1-yl-N-[[2-(trifluoromethyl)phenyl]methyl]thieno[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 135240154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).