2-N-methyl-4-N-(2-morpholin-4-ylethyl)-6-[4-(trifluoromethyl)phenyl]thieno[3,2-d]pyrimidine-2,4-diamine

C20H22F3N5OS — CID 122190178

IUPAC2-N-methyl-4-N-(2-morpholin-4-ylethyl)-6-[4-(trifluoromethyl)phenyl]thieno[3,2-d]pyrimidine-2,4-diamine
SMILESCNc1nc(NCCN2CCOCC2)c2sc(-c3ccc(C(F)(F)F)cc3)cc2n1
InChIInChI=1S/C20H22F3N5OS/c1-24-19-26-15-12-16(13-2-4-14(5-3-13)20(21,22)23)30-17(15)18(27-19)25-6-7-28-8-10-29-11-9-28/h2-5,12H,6-11H2,1H3,(H2,24,25,26,27)
InChIKeyUWQCHZJXDUOELE-UHFFFAOYSA-N
MW437.49 g/mol
LogP4.16
Rot. Bonds6

About 2-N-methyl-4-N-(2-morpholin-4-ylethyl)-6-[4-(trifluoromethyl)phenyl]thieno[3,2-d]pyrimidine-2,4-diamine

2-N-methyl-4-N-(2-morpholin-4-ylethyl)-6-[4-(trifluoromethyl)phenyl]thieno[3,2-d]pyrimidine-2,4-diamine (PubChem CID 122190178) has the molecular formula C20H22F3N5OS and a molecular weight of 437.49 g/mol. Its IUPAC name is 2-N-methyl-4-N-(2-morpholin-4-ylethyl)-6-[4-(trifluoromethyl)phenyl]thieno[3,2-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-methyl-4-N-(2-morpholin-4-ylethyl)-6-[4-(trifluoromethyl)phenyl]thieno[3,2-d]pyrimidine-2,4-diamine
PubChem CID122190178
Molecular FormulaC20H22F3N5OS
Molecular Weight437.49 g/mol
Exact Mass437.15
IUPAC Name2-N-methyl-4-N-(2-morpholin-4-ylethyl)-6-[4-(trifluoromethyl)phenyl]thieno[3,2-d]pyrimidine-2,4-diamine
SMILESCNc1nc(NCCN2CCOCC2)c2sc(-c3ccc(C(F)(F)F)cc3)cc2n1
InChIInChI=1S/C20H22F3N5OS/c1-24-19-26-15-12-16(13-2-4-14(5-3-13)20(21,22)23)30-17(15)18(27-19)25-6-7-28-8-10-29-11-9-28/h2-5,12H,6-11H2,1H3,(H2,24,25,26,27)
InChIKeyUWQCHZJXDUOELE-UHFFFAOYSA-N
XLogP4.16
TPSA62.31 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.49
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-4-N-(2-morpholin-4-ylethyl)-6-[4-(trifluoromethyl)phenyl]thieno[3,2-d]pyrimidine-2,4-diamine?
The IUPAC name of 2-N-methyl-4-N-(2-morpholin-4-ylethyl)-6-[4-(trifluoromethyl)phenyl]thieno[3,2-d]pyrimidine-2,4-diamine (CID 122190178) is 2-N-methyl-4-N-(2-morpholin-4-ylethyl)-6-[4-(trifluoromethyl)phenyl]thieno[3,2-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-methyl-4-N-(2-morpholin-4-ylethyl)-6-[4-(trifluoromethyl)phenyl]thieno[3,2-d]pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-methyl-4-N-(2-morpholin-4-ylethyl)-6-[4-(trifluoromethyl)phenyl]thieno[3,2-d]pyrimidine-2,4-diamine is CNc1nc(NCCN2CCOCC2)c2sc(-c3ccc(C(F)(F)F)cc3)cc2n1.
What is the InChIKey of 2-N-methyl-4-N-(2-morpholin-4-ylethyl)-6-[4-(trifluoromethyl)phenyl]thieno[3,2-d]pyrimidine-2,4-diamine?
The InChIKey is UWQCHZJXDUOELE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F3N5OS/c1-24-19-26-15-12-16(13-2-4-14(5-3-13)20(21,22)23)30-17(15)18(27-19)25-6-7-28-8-10-29-11-9-28/h2-5,12H,6-11H2,1H3,(H2,24,25,26,27).
What are the key properties of 2-N-methyl-4-N-(2-morpholin-4-ylethyl)-6-[4-(trifluoromethyl)phenyl]thieno[3,2-d]pyrimidine-2,4-diamine?
2-N-methyl-4-N-(2-morpholin-4-ylethyl)-6-[4-(trifluoromethyl)phenyl]thieno[3,2-d]pyrimidine-2,4-diamine has a molecular weight of 437.49 g/mol, XLogP of 4.16, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-4-N-(2-morpholin-4-ylethyl)-6-[4-(trifluoromethyl)phenyl]thieno[3,2-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 122190178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).