N-propyl-2-(2,2,2-trifluoroethyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine

C11H14F3N3S — CID 83190897

IUPACN-propyl-2-(2,2,2-trifluoroethyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
SMILESCCCNc1nc(CC(F)(F)F)nc2c1CSC2
InChIInChI=1S/C11H14F3N3S/c1-2-3-15-10-7-5-18-6-8(7)16-9(17-10)4-11(12,13)14/h2-6H2,1H3,(H,15,16,17)
InChIKeyYPKYMHGHFBZPJV-UHFFFAOYSA-N
MW277.31 g/mol
LogP3.15
Rot. Bonds4

About N-propyl-2-(2,2,2-trifluoroethyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine

N-propyl-2-(2,2,2-trifluoroethyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine (PubChem CID 83190897) has the molecular formula C11H14F3N3S and a molecular weight of 277.31 g/mol. Its IUPAC name is N-propyl-2-(2,2,2-trifluoroethyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-propyl-2-(2,2,2-trifluoroethyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
PubChem CID83190897
Molecular FormulaC11H14F3N3S
Molecular Weight277.31 g/mol
Exact Mass277.09
IUPAC NameN-propyl-2-(2,2,2-trifluoroethyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
SMILESCCCNc1nc(CC(F)(F)F)nc2c1CSC2
InChIInChI=1S/C11H14F3N3S/c1-2-3-15-10-7-5-18-6-8(7)16-9(17-10)4-11(12,13)14/h2-6H2,1H3,(H,15,16,17)
InChIKeyYPKYMHGHFBZPJV-UHFFFAOYSA-N
XLogP3.15
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.31
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-propyl-2-(2,2,2-trifluoroethyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine 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 N-propyl-2-(2,2,2-trifluoroethyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine?
The IUPAC name of N-propyl-2-(2,2,2-trifluoroethyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine (CID 83190897) is N-propyl-2-(2,2,2-trifluoroethyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-propyl-2-(2,2,2-trifluoroethyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine?
The canonical SMILES for N-propyl-2-(2,2,2-trifluoroethyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine is CCCNc1nc(CC(F)(F)F)nc2c1CSC2.
What is the InChIKey of N-propyl-2-(2,2,2-trifluoroethyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine?
The InChIKey is YPKYMHGHFBZPJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3S/c1-2-3-15-10-7-5-18-6-8(7)16-9(17-10)4-11(12,13)14/h2-6H2,1H3,(H,15,16,17).
What are the key properties of N-propyl-2-(2,2,2-trifluoroethyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine?
N-propyl-2-(2,2,2-trifluoroethyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine has a molecular weight of 277.31 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-2-(2,2,2-trifluoroethyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 83190897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).