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

C9H10F3N3S — CID 83191096

IUPACN-methyl-2-(2,2,2-trifluoroethyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
SMILESCNc1nc(CC(F)(F)F)nc2c1CSC2
InChIInChI=1S/C9H10F3N3S/c1-13-8-5-3-16-4-6(5)14-7(15-8)2-9(10,11)12/h2-4H2,1H3,(H,13,14,15)
InChIKeyGMNPEOWFCHZVTA-UHFFFAOYSA-N
MW249.26 g/mol
LogP2.37
Rot. Bonds2

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

N-methyl-2-(2,2,2-trifluoroethyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine (PubChem CID 83191096) has the molecular formula C9H10F3N3S and a molecular weight of 249.26 g/mol. Its IUPAC name is N-methyl-2-(2,2,2-trifluoroethyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-methyl-2-(2,2,2-trifluoroethyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
PubChem CID83191096
Molecular FormulaC9H10F3N3S
Molecular Weight249.26 g/mol
Exact Mass249.05
IUPAC NameN-methyl-2-(2,2,2-trifluoroethyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
SMILESCNc1nc(CC(F)(F)F)nc2c1CSC2
InChIInChI=1S/C9H10F3N3S/c1-13-8-5-3-16-4-6(5)14-7(15-8)2-9(10,11)12/h2-4H2,1H3,(H,13,14,15)
InChIKeyGMNPEOWFCHZVTA-UHFFFAOYSA-N
XLogP2.37
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.26
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(2,2,2-trifluoroethyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine?
The IUPAC name of N-methyl-2-(2,2,2-trifluoroethyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine (CID 83191096) is N-methyl-2-(2,2,2-trifluoroethyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-methyl-2-(2,2,2-trifluoroethyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine?
The canonical SMILES for N-methyl-2-(2,2,2-trifluoroethyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine is CNc1nc(CC(F)(F)F)nc2c1CSC2.
What is the InChIKey of N-methyl-2-(2,2,2-trifluoroethyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine?
The InChIKey is GMNPEOWFCHZVTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3N3S/c1-13-8-5-3-16-4-6(5)14-7(15-8)2-9(10,11)12/h2-4H2,1H3,(H,13,14,15).
What are the key properties of N-methyl-2-(2,2,2-trifluoroethyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine?
N-methyl-2-(2,2,2-trifluoroethyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine has a molecular weight of 249.26 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(2,2,2-trifluoroethyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 83191096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).