4-N-pyrrolidin-3-yl-6-[4-(trifluoromethyl)phenyl]thieno[3,2-d]pyrimidine-2,4-diamine

C17H16F3N5S — CID 122190274

IUPAC4-N-pyrrolidin-3-yl-6-[4-(trifluoromethyl)phenyl]thieno[3,2-d]pyrimidine-2,4-diamine
SMILESNc1nc(NC2CCNC2)c2sc(-c3ccc(C(F)(F)F)cc3)cc2n1
InChIInChI=1S/C17H16F3N5S/c18-17(19,20)10-3-1-9(2-4-10)13-7-12-14(26-13)15(25-16(21)24-12)23-11-5-6-22-8-11/h1-4,7,11,22H,5-6,8H2,(H3,21,23,24,25)
InChIKeyYMXLDCZQTRKESQ-UHFFFAOYSA-N
MW379.41 g/mol
LogP3.73
Rot. Bonds3

About 4-N-pyrrolidin-3-yl-6-[4-(trifluoromethyl)phenyl]thieno[3,2-d]pyrimidine-2,4-diamine

4-N-pyrrolidin-3-yl-6-[4-(trifluoromethyl)phenyl]thieno[3,2-d]pyrimidine-2,4-diamine (PubChem CID 122190274) has the molecular formula C17H16F3N5S and a molecular weight of 379.41 g/mol. Its IUPAC name is 4-N-pyrrolidin-3-yl-6-[4-(trifluoromethyl)phenyl]thieno[3,2-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-pyrrolidin-3-yl-6-[4-(trifluoromethyl)phenyl]thieno[3,2-d]pyrimidine-2,4-diamine
PubChem CID122190274
Molecular FormulaC17H16F3N5S
Molecular Weight379.41 g/mol
Exact Mass379.11
IUPAC Name4-N-pyrrolidin-3-yl-6-[4-(trifluoromethyl)phenyl]thieno[3,2-d]pyrimidine-2,4-diamine
SMILESNc1nc(NC2CCNC2)c2sc(-c3ccc(C(F)(F)F)cc3)cc2n1
InChIInChI=1S/C17H16F3N5S/c18-17(19,20)10-3-1-9(2-4-10)13-7-12-14(26-13)15(25-16(21)24-12)23-11-5-6-22-8-11/h1-4,7,11,22H,5-6,8H2,(H3,21,23,24,25)
InChIKeyYMXLDCZQTRKESQ-UHFFFAOYSA-N
XLogP3.73
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.41
LogP ≤ 53.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-N-pyrrolidin-3-yl-6-[4-(trifluoromethyl)phenyl]thieno[3,2-d]pyrimidine-2,4-diamine 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-N-pyrrolidin-3-yl-6-[4-(trifluoromethyl)phenyl]thieno[3,2-d]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-pyrrolidin-3-yl-6-[4-(trifluoromethyl)phenyl]thieno[3,2-d]pyrimidine-2,4-diamine (CID 122190274) is 4-N-pyrrolidin-3-yl-6-[4-(trifluoromethyl)phenyl]thieno[3,2-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-pyrrolidin-3-yl-6-[4-(trifluoromethyl)phenyl]thieno[3,2-d]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-pyrrolidin-3-yl-6-[4-(trifluoromethyl)phenyl]thieno[3,2-d]pyrimidine-2,4-diamine is Nc1nc(NC2CCNC2)c2sc(-c3ccc(C(F)(F)F)cc3)cc2n1.
What is the InChIKey of 4-N-pyrrolidin-3-yl-6-[4-(trifluoromethyl)phenyl]thieno[3,2-d]pyrimidine-2,4-diamine?
The InChIKey is YMXLDCZQTRKESQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N5S/c18-17(19,20)10-3-1-9(2-4-10)13-7-12-14(26-13)15(25-16(21)24-12)23-11-5-6-22-8-11/h1-4,7,11,22H,5-6,8H2,(H3,21,23,24,25).
What are the key properties of 4-N-pyrrolidin-3-yl-6-[4-(trifluoromethyl)phenyl]thieno[3,2-d]pyrimidine-2,4-diamine?
4-N-pyrrolidin-3-yl-6-[4-(trifluoromethyl)phenyl]thieno[3,2-d]pyrimidine-2,4-diamine has a molecular weight of 379.41 g/mol, XLogP of 3.73, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-pyrrolidin-3-yl-6-[4-(trifluoromethyl)phenyl]thieno[3,2-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 122190274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).