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

C11H12F3N3OS — CID 103333321

IUPACN-ethyl-4-(3,3,3-trifluoropropoxy)thieno[2,3-d]pyrimidin-2-amine
SMILESCCNc1nc(OCCC(F)(F)F)c2ccsc2n1
InChIInChI=1S/C11H12F3N3OS/c1-2-15-10-16-8(18-5-4-11(12,13)14)7-3-6-19-9(7)17-10/h3,6H,2,4-5H2,1H3,(H,15,16,17)
InChIKeyAUCHCQBRXVBSJX-UHFFFAOYSA-N
MW291.30 g/mol
LogP3.45
Rot. Bonds5

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

N-ethyl-4-(3,3,3-trifluoropropoxy)thieno[2,3-d]pyrimidin-2-amine (PubChem CID 103333321) has the molecular formula C11H12F3N3OS and a molecular weight of 291.30 g/mol. Its IUPAC name is N-ethyl-4-(3,3,3-trifluoropropoxy)thieno[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound NameN-ethyl-4-(3,3,3-trifluoropropoxy)thieno[2,3-d]pyrimidin-2-amine
PubChem CID103333321
Molecular FormulaC11H12F3N3OS
Molecular Weight291.30 g/mol
Exact Mass291.07
IUPAC NameN-ethyl-4-(3,3,3-trifluoropropoxy)thieno[2,3-d]pyrimidin-2-amine
SMILESCCNc1nc(OCCC(F)(F)F)c2ccsc2n1
InChIInChI=1S/C11H12F3N3OS/c1-2-15-10-16-8(18-5-4-11(12,13)14)7-3-6-19-9(7)17-10/h3,6H,2,4-5H2,1H3,(H,15,16,17)
InChIKeyAUCHCQBRXVBSJX-UHFFFAOYSA-N
XLogP3.45
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.30
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-4-pentoxythieno[2,3-d]pyrimidin-2-amine
CID 103331646
N-ethyl-4-phenylmethoxythieno[2,3-d]pyrimidin-2-amine
CID 103331360
4-(3,5-difluorophenoxy)-N-ethylthieno[2,3-d]pyrimidin-2-amine
CID 103332454
N-propyl-4-(2,2,3,3-tetrafluoropropoxy)thieno[2,3-d]pyrimidin-2-amine
CID 103331237
(4-butoxythieno[2,3-d]pyrimidin-2-yl)hydrazine
CID 103336122
N-ethyl-4-(2-methylphenoxy)thieno[2,3-d]pyrimidin-2-amine
CID 103331842
N-methyl-4-(2,2,3,3,3-pentafluoropropoxy)thieno[2,3-d]pyrimidin-2-amine
CID 103333001
N-ethyl-4-(2-ethylphenoxy)thieno[2,3-d]pyrimidin-2-amine
CID 103332005
N-ethyl-4-(3-fluorophenoxy)thieno[2,3-d]pyrimidin-2-amine
CID 103331903
2-(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)oxy-N,N-dimethylethanamine
CID 103336249
4-(2,5-dimethylphenoxy)-N-ethylthieno[2,3-d]pyrimidin-2-amine
CID 103331816
[4-(2-methoxyethoxy)thieno[2,3-d]pyrimidin-2-yl]hydrazine
CID 103336076

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(3,3,3-trifluoropropoxy)thieno[2,3-d]pyrimidin-2-amine?
The IUPAC name of N-ethyl-4-(3,3,3-trifluoropropoxy)thieno[2,3-d]pyrimidin-2-amine (CID 103333321) is N-ethyl-4-(3,3,3-trifluoropropoxy)thieno[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for N-ethyl-4-(3,3,3-trifluoropropoxy)thieno[2,3-d]pyrimidin-2-amine?
The canonical SMILES for N-ethyl-4-(3,3,3-trifluoropropoxy)thieno[2,3-d]pyrimidin-2-amine is CCNc1nc(OCCC(F)(F)F)c2ccsc2n1.
What is the InChIKey of N-ethyl-4-(3,3,3-trifluoropropoxy)thieno[2,3-d]pyrimidin-2-amine?
The InChIKey is AUCHCQBRXVBSJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3N3OS/c1-2-15-10-16-8(18-5-4-11(12,13)14)7-3-6-19-9(7)17-10/h3,6H,2,4-5H2,1H3,(H,15,16,17).
What are the key properties of N-ethyl-4-(3,3,3-trifluoropropoxy)thieno[2,3-d]pyrimidin-2-amine?
N-ethyl-4-(3,3,3-trifluoropropoxy)thieno[2,3-d]pyrimidin-2-amine has a molecular weight of 291.30 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(3,3,3-trifluoropropoxy)thieno[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 103333321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).