6-methyl-4-(4,4,4-trifluorobutoxy)thieno[2,3-d]pyrimidin-2-amine

C11H12F3N3OS — CID 103333279

IUPAC6-methyl-4-(4,4,4-trifluorobutoxy)thieno[2,3-d]pyrimidin-2-amine
SMILESCc1cc2c(OCCCC(F)(F)F)nc(N)nc2s1
InChIInChI=1S/C11H12F3N3OS/c1-6-5-7-8(16-10(15)17-9(7)19-6)18-4-2-3-11(12,13)14/h5H,2-4H2,1H3,(H2,15,16,17)
InChIKeyMTTXBQNAXGGGJR-UHFFFAOYSA-N
MW291.30 g/mol
LogP3.30
Rot. Bonds4

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

6-methyl-4-(4,4,4-trifluorobutoxy)thieno[2,3-d]pyrimidin-2-amine (PubChem CID 103333279) has the molecular formula C11H12F3N3OS and a molecular weight of 291.30 g/mol. Its IUPAC name is 6-methyl-4-(4,4,4-trifluorobutoxy)thieno[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound Name6-methyl-4-(4,4,4-trifluorobutoxy)thieno[2,3-d]pyrimidin-2-amine
PubChem CID103333279
Molecular FormulaC11H12F3N3OS
Molecular Weight291.30 g/mol
Exact Mass291.07
IUPAC Name6-methyl-4-(4,4,4-trifluorobutoxy)thieno[2,3-d]pyrimidin-2-amine
SMILESCc1cc2c(OCCCC(F)(F)F)nc(N)nc2s1
InChIInChI=1S/C11H12F3N3OS/c1-6-5-7-8(16-10(15)17-9(7)19-6)18-4-2-3-11(12,13)14/h5H,2-4H2,1H3,(H2,15,16,17)
InChIKeyMTTXBQNAXGGGJR-UHFFFAOYSA-N
XLogP3.30
TPSA61.03 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 ≤ 53.30
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

4-heptoxy-6-methylthieno[2,3-d]pyrimidin-2-amine
CID 103331259
6-methyl-4-(2-propan-2-yloxyethoxy)thieno[2,3-d]pyrimidin-2-amine
CID 103331522
6-methyl-4-N-(4,4,4-trifluorobutyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103329359
5-methyl-4-(4,4,4-trifluorobutoxy)pyrimidin-2-amine
CID 82793719
4-[(3-chlorophenyl)methoxy]-6-methylthieno[2,3-d]pyrimidin-2-amine
CID 103332823
5-fluoro-4-(4,4,4-trifluorobutoxy)pyrimidin-2-amine
CID 82793938
4-(2,3-dimethylphenoxy)-6-methylthieno[2,3-d]pyrimidin-2-amine
CID 103331767
6-ethyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]thieno[2,3-d]pyrimidin-2-amine
CID 103333367
N,6-dimethyl-4-pent-4-enoxythieno[2,3-d]pyrimidin-2-amine
CID 103332934
N-ethyl-6-methyl-4-(2,2,2-trifluoroethoxy)thieno[2,3-d]pyrimidin-2-amine
CID 103331371
4-(2-ethylphenoxy)-6-methylthieno[2,3-d]pyrimidin-2-amine
CID 103332009
2-(2-amino-6-ethylthieno[2,3-d]pyrimidin-4-yl)oxyethanol
CID 103331574

Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-(4,4,4-trifluorobutoxy)thieno[2,3-d]pyrimidin-2-amine?
The IUPAC name of 6-methyl-4-(4,4,4-trifluorobutoxy)thieno[2,3-d]pyrimidin-2-amine (CID 103333279) is 6-methyl-4-(4,4,4-trifluorobutoxy)thieno[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for 6-methyl-4-(4,4,4-trifluorobutoxy)thieno[2,3-d]pyrimidin-2-amine?
The canonical SMILES for 6-methyl-4-(4,4,4-trifluorobutoxy)thieno[2,3-d]pyrimidin-2-amine is Cc1cc2c(OCCCC(F)(F)F)nc(N)nc2s1.
What is the InChIKey of 6-methyl-4-(4,4,4-trifluorobutoxy)thieno[2,3-d]pyrimidin-2-amine?
The InChIKey is MTTXBQNAXGGGJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3N3OS/c1-6-5-7-8(16-10(15)17-9(7)19-6)18-4-2-3-11(12,13)14/h5H,2-4H2,1H3,(H2,15,16,17).
What are the key properties of 6-methyl-4-(4,4,4-trifluorobutoxy)thieno[2,3-d]pyrimidin-2-amine?
6-methyl-4-(4,4,4-trifluorobutoxy)thieno[2,3-d]pyrimidin-2-amine has a molecular weight of 291.30 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-(4,4,4-trifluorobutoxy)thieno[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 103333279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).