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

C10H12F3N3S — CID 83189902

IUPACN-ethyl-2-(2,2,2-trifluoroethyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
SMILESCCNc1nc(CC(F)(F)F)nc2c1CSC2
InChIInChI=1S/C10H12F3N3S/c1-2-14-9-6-4-17-5-7(6)15-8(16-9)3-10(11,12)13/h2-5H2,1H3,(H,14,15,16)
InChIKeyHJDJUVRRIHKQBR-UHFFFAOYSA-N
MW263.29 g/mol
LogP2.76
Rot. Bonds3

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

N-ethyl-2-(2,2,2-trifluoroethyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine (PubChem CID 83189902) has the molecular formula C10H12F3N3S and a molecular weight of 263.29 g/mol. Its IUPAC name is N-ethyl-2-(2,2,2-trifluoroethyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-2-(2,2,2-trifluoroethyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
PubChem CID83189902
Molecular FormulaC10H12F3N3S
Molecular Weight263.29 g/mol
Exact Mass263.07
IUPAC NameN-ethyl-2-(2,2,2-trifluoroethyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
SMILESCCNc1nc(CC(F)(F)F)nc2c1CSC2
InChIInChI=1S/C10H12F3N3S/c1-2-14-9-6-4-17-5-7(6)15-8(16-9)3-10(11,12)13/h2-5H2,1H3,(H,14,15,16)
InChIKeyHJDJUVRRIHKQBR-UHFFFAOYSA-N
XLogP2.76
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(2,2,2-trifluoroethyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine?
The IUPAC name of N-ethyl-2-(2,2,2-trifluoroethyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine (CID 83189902) is N-ethyl-2-(2,2,2-trifluoroethyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-ethyl-2-(2,2,2-trifluoroethyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine?
The canonical SMILES for N-ethyl-2-(2,2,2-trifluoroethyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine is CCNc1nc(CC(F)(F)F)nc2c1CSC2.
What is the InChIKey of N-ethyl-2-(2,2,2-trifluoroethyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine?
The InChIKey is HJDJUVRRIHKQBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3S/c1-2-14-9-6-4-17-5-7(6)15-8(16-9)3-10(11,12)13/h2-5H2,1H3,(H,14,15,16).
What are the key properties of N-ethyl-2-(2,2,2-trifluoroethyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine?
N-ethyl-2-(2,2,2-trifluoroethyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine has a molecular weight of 263.29 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(2,2,2-trifluoroethyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 83189902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).