N-ethyl-6-methyl-4-(2,2,2-trifluoroethoxy)thieno[2,3-d]pyrimidin-2-amine

C11H12F3N3OS — CID 103331371

IUPACN-ethyl-6-methyl-4-(2,2,2-trifluoroethoxy)thieno[2,3-d]pyrimidin-2-amine
SMILESCCNc1nc(OCC(F)(F)F)c2cc(C)sc2n1
InChIInChI=1S/C11H12F3N3OS/c1-3-15-10-16-8(18-5-11(12,13)14)7-4-6(2)19-9(7)17-10/h4H,3,5H2,1-2H3,(H,15,16,17)
InChIKeyZIZZXAMAQMMTSZ-UHFFFAOYSA-N
MW291.30 g/mol
LogP3.37
Rot. Bonds4

About N-ethyl-6-methyl-4-(2,2,2-trifluoroethoxy)thieno[2,3-d]pyrimidin-2-amine

N-ethyl-6-methyl-4-(2,2,2-trifluoroethoxy)thieno[2,3-d]pyrimidin-2-amine (PubChem CID 103331371) has the molecular formula C11H12F3N3OS and a molecular weight of 291.30 g/mol. Its IUPAC name is N-ethyl-6-methyl-4-(2,2,2-trifluoroethoxy)thieno[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound NameN-ethyl-6-methyl-4-(2,2,2-trifluoroethoxy)thieno[2,3-d]pyrimidin-2-amine
PubChem CID103331371
Molecular FormulaC11H12F3N3OS
Molecular Weight291.30 g/mol
Exact Mass291.07
IUPAC NameN-ethyl-6-methyl-4-(2,2,2-trifluoroethoxy)thieno[2,3-d]pyrimidin-2-amine
SMILESCCNc1nc(OCC(F)(F)F)c2cc(C)sc2n1
InChIInChI=1S/C11H12F3N3OS/c1-3-15-10-16-8(18-5-11(12,13)14)7-4-6(2)19-9(7)17-10/h4H,3,5H2,1-2H3,(H,15,16,17)
InChIKeyZIZZXAMAQMMTSZ-UHFFFAOYSA-N
XLogP3.37
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.30
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-6-methyl-4-propan-2-yloxythieno[2,3-d]pyrimidin-2-amine
CID 103331498
N-ethyl-6-methyl-4-(2-thiophen-2-ylethoxy)thieno[2,3-d]pyrimidin-2-amine
CID 103332290
4-hexoxy-6-methyl-N-propylthieno[2,3-d]pyrimidin-2-amine
CID 103331315
4-N-(2,2-dimethylpropyl)-2-N-ethyl-6-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103325438
4-(3-chlorophenoxy)-N-ethyl-6-methylthieno[2,3-d]pyrimidin-2-amine
CID 103331886
2-N-ethyl-4-N-(3-ethylpentan-3-yl)-6-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103328434
4-(azepan-1-yl)-N-ethyl-6-methylthieno[2,3-d]pyrimidin-2-amine
CID 103323872
4-N-(3,3-dimethylbutan-2-yl)-2-N-ethyl-6-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103329938
4-N-(cyclopropylmethyl)-2-N-ethyl-6-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324169
4-methoxy-N,6-dimethylthieno[2,3-d]pyrimidin-2-amine
CID 103331394
2-[[2-(ethylamino)-6-methylthieno[2,3-d]pyrimidin-4-yl]amino]ethanol
CID 103324005
N,6-dimethyl-4-pent-4-enoxythieno[2,3-d]pyrimidin-2-amine
CID 103332934

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-methyl-4-(2,2,2-trifluoroethoxy)thieno[2,3-d]pyrimidin-2-amine?
The IUPAC name of N-ethyl-6-methyl-4-(2,2,2-trifluoroethoxy)thieno[2,3-d]pyrimidin-2-amine (CID 103331371) is N-ethyl-6-methyl-4-(2,2,2-trifluoroethoxy)thieno[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for N-ethyl-6-methyl-4-(2,2,2-trifluoroethoxy)thieno[2,3-d]pyrimidin-2-amine?
The canonical SMILES for N-ethyl-6-methyl-4-(2,2,2-trifluoroethoxy)thieno[2,3-d]pyrimidin-2-amine is CCNc1nc(OCC(F)(F)F)c2cc(C)sc2n1.
What is the InChIKey of N-ethyl-6-methyl-4-(2,2,2-trifluoroethoxy)thieno[2,3-d]pyrimidin-2-amine?
The InChIKey is ZIZZXAMAQMMTSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3N3OS/c1-3-15-10-16-8(18-5-11(12,13)14)7-4-6(2)19-9(7)17-10/h4H,3,5H2,1-2H3,(H,15,16,17).
What are the key properties of N-ethyl-6-methyl-4-(2,2,2-trifluoroethoxy)thieno[2,3-d]pyrimidin-2-amine?
N-ethyl-6-methyl-4-(2,2,2-trifluoroethoxy)thieno[2,3-d]pyrimidin-2-amine has a molecular weight of 291.30 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-methyl-4-(2,2,2-trifluoroethoxy)thieno[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 103331371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).