4-N-cyclopropyl-2-N-methyl-4-N-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine-2,4-diamine

C12H13F3N4S — CID 103326591

IUPAC4-N-cyclopropyl-2-N-methyl-4-N-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine-2,4-diamine
SMILESCNc1nc(N(CC(F)(F)F)C2CC2)c2ccsc2n1
InChIInChI=1S/C12H13F3N4S/c1-16-11-17-9(8-4-5-20-10(8)18-11)19(7-2-3-7)6-12(13,14)15/h4-5,7H,2-3,6H2,1H3,(H,16,17,18)
InChIKeyJSZMZISBDMUYGQ-UHFFFAOYSA-N
MW302.33 g/mol
LogP3.26
Rot. Bonds4

About 4-N-cyclopropyl-2-N-methyl-4-N-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine-2,4-diamine

4-N-cyclopropyl-2-N-methyl-4-N-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine-2,4-diamine (PubChem CID 103326591) has the molecular formula C12H13F3N4S and a molecular weight of 302.33 g/mol. Its IUPAC name is 4-N-cyclopropyl-2-N-methyl-4-N-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-cyclopropyl-2-N-methyl-4-N-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine-2,4-diamine
PubChem CID103326591
Molecular FormulaC12H13F3N4S
Molecular Weight302.33 g/mol
Exact Mass302.08
IUPAC Name4-N-cyclopropyl-2-N-methyl-4-N-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine-2,4-diamine
SMILESCNc1nc(N(CC(F)(F)F)C2CC2)c2ccsc2n1
InChIInChI=1S/C12H13F3N4S/c1-16-11-17-9(8-4-5-20-10(8)18-11)19(7-2-3-7)6-12(13,14)15/h4-5,7H,2-3,6H2,1H3,(H,16,17,18)
InChIKeyJSZMZISBDMUYGQ-UHFFFAOYSA-N
XLogP3.26
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-N-cyclopropyl-2-N-methyl-4-N-(2,2,2-trifluoroethyl)thieno[2,3-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

Related Compounds

N-cyclopropyl-N-ethyl-2-hydrazinylthieno[2,3-d]pyrimidin-4-amine
CID 103335410
2-N,4-N-dimethyl-4-N-(3,3,3-trifluoropropyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103328589
N-cyclopropyl-2-hydrazinyl-6-methyl-N-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine
CID 103333103
2-[cyclopropyl-(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol
CID 103333014
4-N-butyl-4-N-cyclopropyl-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103325749
2-N,4-N-dimethyl-4-N-(3-methylcyclohexyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103325764
4-N-ethyl-2-N-methyl-4-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324590
4-[4-[(dimethylamino)methyl]piperidin-1-yl]-N-methylthieno[2,3-d]pyrimidin-2-amine
CID 103326291
2-N,4-N-dimethyl-4-N-(2-methyloxolan-3-yl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103329415
2-[cyclopentyl-(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol
CID 103333025
4-N-cyclopropyl-2-N,6-dimethyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine
CID 80815269
2-N,4-N-dimethyl-4-N-(oxan-3-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103327884

Frequently Asked Questions

What is the IUPAC name of 4-N-cyclopropyl-2-N-methyl-4-N-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-cyclopropyl-2-N-methyl-4-N-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine-2,4-diamine (CID 103326591) is 4-N-cyclopropyl-2-N-methyl-4-N-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-cyclopropyl-2-N-methyl-4-N-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-cyclopropyl-2-N-methyl-4-N-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine-2,4-diamine is CNc1nc(N(CC(F)(F)F)C2CC2)c2ccsc2n1.
What is the InChIKey of 4-N-cyclopropyl-2-N-methyl-4-N-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine-2,4-diamine?
The InChIKey is JSZMZISBDMUYGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N4S/c1-16-11-17-9(8-4-5-20-10(8)18-11)19(7-2-3-7)6-12(13,14)15/h4-5,7H,2-3,6H2,1H3,(H,16,17,18).
What are the key properties of 4-N-cyclopropyl-2-N-methyl-4-N-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine-2,4-diamine?
4-N-cyclopropyl-2-N-methyl-4-N-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine-2,4-diamine has a molecular weight of 302.33 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclopropyl-2-N-methyl-4-N-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 103326591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).