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

C11H14F3N3S — CID 83191505

IUPACN-ethyl-2-(3,3,3-trifluoropropyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
SMILESCCNc1nc(CCC(F)(F)F)nc2c1CSC2
InChIInChI=1S/C11H14F3N3S/c1-2-15-10-7-5-18-6-8(7)16-9(17-10)3-4-11(12,13)14/h2-6H2,1H3,(H,15,16,17)
InChIKeyRWINHNZZRSAGKH-UHFFFAOYSA-N
MW277.31 g/mol
LogP3.15
Rot. Bonds4

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

N-ethyl-2-(3,3,3-trifluoropropyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine (PubChem CID 83191505) has the molecular formula C11H14F3N3S and a molecular weight of 277.31 g/mol. Its IUPAC name is N-ethyl-2-(3,3,3-trifluoropropyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-2-(3,3,3-trifluoropropyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
PubChem CID83191505
Molecular FormulaC11H14F3N3S
Molecular Weight277.31 g/mol
Exact Mass277.09
IUPAC NameN-ethyl-2-(3,3,3-trifluoropropyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
SMILESCCNc1nc(CCC(F)(F)F)nc2c1CSC2
InChIInChI=1S/C11H14F3N3S/c1-2-15-10-7-5-18-6-8(7)16-9(17-10)3-4-11(12,13)14/h2-6H2,1H3,(H,15,16,17)
InChIKeyRWINHNZZRSAGKH-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

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Related Compounds

2-Cyclopropyl-4-piperazin-1-yl-5,7-dihydrothieno[3,4-d]pyrimidine
CID 15055742
2-Ethyl-4-piperazin-1-yl-5,7-dihydrothieno[3,4-d]pyrimidine
CID 44209099
2-chloro-5-(difluoromethyl)-6-methyl-N-propylpyrimidin-4-amine
CID 176067615
N,5,6-trimethyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 33697939
5,6-dimethyl-N-propyl-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine
CID 55045296
N,5,6-trimethyl-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine
CID 62192540
N-ethyl-5,6-dimethyl-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine
CID 62192889
2-(cyclopentylsulfanylmethyl)-5-fluoro-N,6-dimethylpyrimidin-4-amine
CID 65997792
5-fluoro-N,6-dimethyl-2-(propan-2-ylsulfanylmethyl)pyrimidin-4-amine
CID 65997793
2-(tert-butylsulfanylmethyl)-5-fluoro-N,6-dimethylpyrimidin-4-amine
CID 65998198
N-ethyl-5-fluoro-6-methyl-2-(2-methylpropylsulfanylmethyl)pyrimidin-4-amine
CID 65998199
N-ethyl-5-fluoro-6-methyl-2-(methylsulfanylmethyl)pyrimidin-4-amine
CID 65998206

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(3,3,3-trifluoropropyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine?
The IUPAC name of N-ethyl-2-(3,3,3-trifluoropropyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine (CID 83191505) is N-ethyl-2-(3,3,3-trifluoropropyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-ethyl-2-(3,3,3-trifluoropropyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine?
The canonical SMILES for N-ethyl-2-(3,3,3-trifluoropropyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine is CCNc1nc(CCC(F)(F)F)nc2c1CSC2.
What is the InChIKey of N-ethyl-2-(3,3,3-trifluoropropyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine?
The InChIKey is RWINHNZZRSAGKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3S/c1-2-15-10-7-5-18-6-8(7)16-9(17-10)3-4-11(12,13)14/h2-6H2,1H3,(H,15,16,17).
What are the key properties of N-ethyl-2-(3,3,3-trifluoropropyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine?
N-ethyl-2-(3,3,3-trifluoropropyl)-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-ethyl-2-(3,3,3-trifluoropropyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 83191505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).