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

C11H14F3N3OS — CID 103150486

IUPACN-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
SMILESCNc1nc(CCOCC(F)(F)F)nc2c1CSC2
InChIInChI=1S/C11H14F3N3OS/c1-15-10-7-4-19-5-8(7)16-9(17-10)2-3-18-6-11(12,13)14/h2-6H2,1H3,(H,15,16,17)
InChIKeySWTPCACKGXDURP-UHFFFAOYSA-N
MW293.31 g/mol
LogP2.39
Rot. Bonds5

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

N-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine (PubChem CID 103150486) has the molecular formula C11H14F3N3OS and a molecular weight of 293.31 g/mol. Its IUPAC name is N-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
PubChem CID103150486
Molecular FormulaC11H14F3N3OS
Molecular Weight293.31 g/mol
Exact Mass293.08
IUPAC NameN-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
SMILESCNc1nc(CCOCC(F)(F)F)nc2c1CSC2
InChIInChI=1S/C11H14F3N3OS/c1-15-10-7-4-19-5-8(7)16-9(17-10)2-3-18-6-11(12,13)14/h2-6H2,1H3,(H,15,16,17)
InChIKeySWTPCACKGXDURP-UHFFFAOYSA-N
XLogP2.39
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.31
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-2-(2,2,2-trifluoroethyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 83189902
N-propyl-2-(3,3,3-trifluoropropyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 83190236
N-methyl-2-(3,3,3-trifluoropropyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 83190770
2-(3,3,3-Trifluoropropyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 83190864
2-(2,2,2-Trifluoroethyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 83190868
N-propyl-2-(2,2,2-trifluoroethyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 83190897
N-methyl-2-(2,2,2-trifluoroethyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 83191096
N-ethyl-2-(3,3,3-trifluoropropyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 83191505
4-Chloro-2-[2-(2,2-difluoroethoxy)ethyl]-5,7-dihydrothieno[3,4-d]pyrimidine
CID 103146744
2-[2-(2,2-difluoroethoxy)ethyl]-N,5,6-trimethylpyrimidin-4-amine
CID 103150326
2-[2-(2,2-difluoroethoxy)ethyl]-N-ethyl-5,6-dimethylpyrimidin-4-amine
CID 103150327
N-ethyl-5,6-dimethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine
CID 103150328

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine?
The IUPAC name of N-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine (CID 103150486) is N-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine?
The canonical SMILES for N-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine is CNc1nc(CCOCC(F)(F)F)nc2c1CSC2.
What is the InChIKey of N-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine?
The InChIKey is SWTPCACKGXDURP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3OS/c1-15-10-7-4-19-5-8(7)16-9(17-10)2-3-18-6-11(12,13)14/h2-6H2,1H3,(H,15,16,17).
What are the key properties of N-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine?
N-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine has a molecular weight of 293.31 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 103150486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).