2-N,4-N-dimethyl-4-N-(3,3,3-trifluoropropyl)thieno[2,3-d]pyrimidine-2,4-diamine

C11H13F3N4S — CID 103328589

IUPAC2-N,4-N-dimethyl-4-N-(3,3,3-trifluoropropyl)thieno[2,3-d]pyrimidine-2,4-diamine
SMILESCNc1nc(N(C)CCC(F)(F)F)c2ccsc2n1
InChIInChI=1S/C11H13F3N4S/c1-15-10-16-8(7-3-6-19-9(7)17-10)18(2)5-4-11(12,13)14/h3,6H,4-5H2,1-2H3,(H,15,16,17)
InChIKeyODZZDLMJZCUHIY-UHFFFAOYSA-N
MW290.31 g/mol
LogP3.12
Rot. Bonds4

About 2-N,4-N-dimethyl-4-N-(3,3,3-trifluoropropyl)thieno[2,3-d]pyrimidine-2,4-diamine

2-N,4-N-dimethyl-4-N-(3,3,3-trifluoropropyl)thieno[2,3-d]pyrimidine-2,4-diamine (PubChem CID 103328589) has the molecular formula C11H13F3N4S and a molecular weight of 290.31 g/mol. Its IUPAC name is 2-N,4-N-dimethyl-4-N-(3,3,3-trifluoropropyl)thieno[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N,4-N-dimethyl-4-N-(3,3,3-trifluoropropyl)thieno[2,3-d]pyrimidine-2,4-diamine
PubChem CID103328589
Molecular FormulaC11H13F3N4S
Molecular Weight290.31 g/mol
Exact Mass290.08
IUPAC Name2-N,4-N-dimethyl-4-N-(3,3,3-trifluoropropyl)thieno[2,3-d]pyrimidine-2,4-diamine
SMILESCNc1nc(N(C)CCC(F)(F)F)c2ccsc2n1
InChIInChI=1S/C11H13F3N4S/c1-15-10-16-8(7-3-6-19-9(7)17-10)18(2)5-4-11(12,13)14/h3,6H,4-5H2,1-2H3,(H,15,16,17)
InChIKeyODZZDLMJZCUHIY-UHFFFAOYSA-N
XLogP3.12
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.31
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-N,4-N-dimethyl-4-N-(3,3,3-trifluoropropyl)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

2-hydrazinyl-N-methyl-N-(3,3,3-trifluoropropyl)thieno[2,3-d]pyrimidin-4-amine
CID 103334358
2-chloro-N-methyl-N-(3,3,3-trifluoropropyl)thieno[2,3-d]pyrimidin-4-amine
CID 103321956
4-N-[(4-bromophenyl)methyl]-2-N,4-N-dimethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103325565
4-N-cyclopropyl-2-N-methyl-4-N-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103326591
4-N-ethyl-2-N-methyl-4-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324590
4-N-[(2-bromophenyl)methyl]-2-N,4-N-dimethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103325571
4-N-(1-methoxypropan-2-yl)-2-N,4-N-dimethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103325817
2-N,4-N-dimethyl-4-N-(oxan-3-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103327884
2-[[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]-(2,2,2-trifluoroethyl)amino]ethanol
CID 107495304
N-[(4-fluorophenyl)methyl]-2-hydrazinyl-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 103332546
2-N,4-N-dimethyl-4-N-(3-methylcyclohexyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103325764
2-N,4-N-dimethyl-4-N-(2-methyloxolan-3-yl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103329415

Frequently Asked Questions

What is the IUPAC name of 2-N,4-N-dimethyl-4-N-(3,3,3-trifluoropropyl)thieno[2,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 2-N,4-N-dimethyl-4-N-(3,3,3-trifluoropropyl)thieno[2,3-d]pyrimidine-2,4-diamine (CID 103328589) is 2-N,4-N-dimethyl-4-N-(3,3,3-trifluoropropyl)thieno[2,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N,4-N-dimethyl-4-N-(3,3,3-trifluoropropyl)thieno[2,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 2-N,4-N-dimethyl-4-N-(3,3,3-trifluoropropyl)thieno[2,3-d]pyrimidine-2,4-diamine is CNc1nc(N(C)CCC(F)(F)F)c2ccsc2n1.
What is the InChIKey of 2-N,4-N-dimethyl-4-N-(3,3,3-trifluoropropyl)thieno[2,3-d]pyrimidine-2,4-diamine?
The InChIKey is ODZZDLMJZCUHIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N4S/c1-15-10-16-8(7-3-6-19-9(7)17-10)18(2)5-4-11(12,13)14/h3,6H,4-5H2,1-2H3,(H,15,16,17).
What are the key properties of 2-N,4-N-dimethyl-4-N-(3,3,3-trifluoropropyl)thieno[2,3-d]pyrimidine-2,4-diamine?
2-N,4-N-dimethyl-4-N-(3,3,3-trifluoropropyl)thieno[2,3-d]pyrimidine-2,4-diamine has a molecular weight of 290.31 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N-dimethyl-4-N-(3,3,3-trifluoropropyl)thieno[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 103328589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).