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

C12H14F3N3OS — CID 103333323

IUPAC6-ethyl-N-methyl-4-(3,3,3-trifluoropropoxy)thieno[2,3-d]pyrimidin-2-amine
SMILESCCc1cc2c(OCCC(F)(F)F)nc(NC)nc2s1
InChIInChI=1S/C12H14F3N3OS/c1-3-7-6-8-9(19-5-4-12(13,14)15)17-11(16-2)18-10(8)20-7/h6H,3-5H2,1-2H3,(H,16,17,18)
InChIKeyYSXHRSRAHIOSII-UHFFFAOYSA-N
MW305.33 g/mol
LogP3.63
Rot. Bonds5

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

6-ethyl-N-methyl-4-(3,3,3-trifluoropropoxy)thieno[2,3-d]pyrimidin-2-amine (PubChem CID 103333323) has the molecular formula C12H14F3N3OS and a molecular weight of 305.33 g/mol. Its IUPAC name is 6-ethyl-N-methyl-4-(3,3,3-trifluoropropoxy)thieno[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound Name6-ethyl-N-methyl-4-(3,3,3-trifluoropropoxy)thieno[2,3-d]pyrimidin-2-amine
PubChem CID103333323
Molecular FormulaC12H14F3N3OS
Molecular Weight305.33 g/mol
Exact Mass305.08
IUPAC Name6-ethyl-N-methyl-4-(3,3,3-trifluoropropoxy)thieno[2,3-d]pyrimidin-2-amine
SMILESCCc1cc2c(OCCC(F)(F)F)nc(NC)nc2s1
InChIInChI=1S/C12H14F3N3OS/c1-3-7-6-8-9(19-5-4-12(13,14)15)17-11(16-2)18-10(8)20-7/h6H,3-5H2,1-2H3,(H,16,17,18)
InChIKeyYSXHRSRAHIOSII-UHFFFAOYSA-N
XLogP3.63
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[3-(dimethylamino)propoxy]-6-ethyl-N-methylthieno[2,3-d]pyrimidin-2-amine
CID 103332122
6-ethyl-N-methyl-4-(2-thiophen-2-ylethoxy)thieno[2,3-d]pyrimidin-2-amine
CID 103332286
6-ethyl-4-(furan-2-ylmethoxy)-N-methylthieno[2,3-d]pyrimidin-2-amine
CID 103331380
[6-ethyl-4-(4-methylpentoxy)thieno[2,3-d]pyrimidin-2-yl]hydrazine
CID 103336025
6-ethyl-N-methyl-4-[(1-methyl-1,2,4-triazol-3-yl)oxy]thieno[2,3-d]pyrimidin-2-amine
CID 106598650
6-ethyl-4-(1-ethylpyrazol-4-yl)oxy-N-methylthieno[2,3-d]pyrimidin-2-amine
CID 103333513
4-N,6-diethyl-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324155
6-ethyl-4-(2-methoxyethylsulfanyl)-N-methylthieno[2,3-d]pyrimidin-2-amine
CID 103334389
[6-ethyl-4-(2-methylpropoxy)thieno[2,3-d]pyrimidin-2-yl]hydrazine
CID 103336078
[6-ethyl-4-[(2-methylpropan-2-yl)oxy]thieno[2,3-d]pyrimidin-2-yl]hydrazine
CID 103336021
N-ethyl-4-(3,3,3-trifluoropropoxy)thieno[2,3-d]pyrimidin-2-amine
CID 103333321
6-ethyl-2-N-methyl-4-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324044

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-N-methyl-4-(3,3,3-trifluoropropoxy)thieno[2,3-d]pyrimidin-2-amine?
The IUPAC name of 6-ethyl-N-methyl-4-(3,3,3-trifluoropropoxy)thieno[2,3-d]pyrimidin-2-amine (CID 103333323) is 6-ethyl-N-methyl-4-(3,3,3-trifluoropropoxy)thieno[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for 6-ethyl-N-methyl-4-(3,3,3-trifluoropropoxy)thieno[2,3-d]pyrimidin-2-amine?
The canonical SMILES for 6-ethyl-N-methyl-4-(3,3,3-trifluoropropoxy)thieno[2,3-d]pyrimidin-2-amine is CCc1cc2c(OCCC(F)(F)F)nc(NC)nc2s1.
What is the InChIKey of 6-ethyl-N-methyl-4-(3,3,3-trifluoropropoxy)thieno[2,3-d]pyrimidin-2-amine?
The InChIKey is YSXHRSRAHIOSII-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N3OS/c1-3-7-6-8-9(19-5-4-12(13,14)15)17-11(16-2)18-10(8)20-7/h6H,3-5H2,1-2H3,(H,16,17,18).
What are the key properties of 6-ethyl-N-methyl-4-(3,3,3-trifluoropropoxy)thieno[2,3-d]pyrimidin-2-amine?
6-ethyl-N-methyl-4-(3,3,3-trifluoropropoxy)thieno[2,3-d]pyrimidin-2-amine has a molecular weight of 305.33 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-N-methyl-4-(3,3,3-trifluoropropoxy)thieno[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 103333323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).