2-(2,2,2-trifluoroethoxymethyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine

C9H10F3N3OS — CID 103476351

IUPAC2-(2,2,2-trifluoroethoxymethyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
SMILESNc1nc(COCC(F)(F)F)nc2c1CSC2
InChIInChI=1S/C9H10F3N3OS/c10-9(11,12)4-16-1-7-14-6-3-17-2-5(6)8(13)15-7/h1-4H2,(H2,13,14,15)
InChIKeyVIFNXYULQFOFQI-UHFFFAOYSA-N
MW265.26 g/mol
LogP1.88
Rot. Bonds3

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

2-(2,2,2-trifluoroethoxymethyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine (PubChem CID 103476351) has the molecular formula C9H10F3N3OS and a molecular weight of 265.26 g/mol. Its IUPAC name is 2-(2,2,2-trifluoroethoxymethyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(2,2,2-trifluoroethoxymethyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
PubChem CID103476351
Molecular FormulaC9H10F3N3OS
Molecular Weight265.26 g/mol
Exact Mass265.05
IUPAC Name2-(2,2,2-trifluoroethoxymethyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
SMILESNc1nc(COCC(F)(F)F)nc2c1CSC2
InChIInChI=1S/C9H10F3N3OS/c10-9(11,12)4-16-1-7-14-6-3-17-2-5(6)8(13)15-7/h1-4H2,(H2,13,14,15)
InChIKeyVIFNXYULQFOFQI-UHFFFAOYSA-N
XLogP1.88
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.26
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-2-(2,2,2-trifluoroethoxymethyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 103476353
2-(2,2,2-trifluoroethoxymethyl)-5,6,7,8-tetrahydroquinazolin-4-amine
CID 103476164
N-propyl-2-(2,2,2-trifluoroethoxymethyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 103476357
2-(methylaminomethyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 105450171
2-(3-methylbutyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 83191076
2-[2-(methylamino)propyl]-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 105482392
5-iodo-6-phenyl-2-(2,2,2-trifluoroethoxymethyl)pyrimidin-4-amine
CID 103476247
2-[2-(2,2,2-trifluoroethoxy)ethyl]-5,7-dihydro-3H-thieno[3,4-d]pyrimidin-4-one
CID 136842478
2-(2-methoxybutan-2-yl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 116777321
2-[(2,6-dichlorophenyl)methyl]-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 83191077
2-(2-ethoxybutan-2-yl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 116777338
2-[(2-methyl-1,3-thiazol-4-yl)methyl]-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 83191173

Frequently Asked Questions

What is the IUPAC name of 2-(2,2,2-trifluoroethoxymethyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine?
The IUPAC name of 2-(2,2,2-trifluoroethoxymethyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine (CID 103476351) is 2-(2,2,2-trifluoroethoxymethyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 2-(2,2,2-trifluoroethoxymethyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 2-(2,2,2-trifluoroethoxymethyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine is Nc1nc(COCC(F)(F)F)nc2c1CSC2.
What is the InChIKey of 2-(2,2,2-trifluoroethoxymethyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine?
The InChIKey is VIFNXYULQFOFQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3N3OS/c10-9(11,12)4-16-1-7-14-6-3-17-2-5(6)8(13)15-7/h1-4H2,(H2,13,14,15).
What are the key properties of 2-(2,2,2-trifluoroethoxymethyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine?
2-(2,2,2-trifluoroethoxymethyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine has a molecular weight of 265.26 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,2-trifluoroethoxymethyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 103476351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).