4-(3,5-difluorophenoxy)-N-ethylthieno[2,3-d]pyrimidin-2-amine

C14H11F2N3OS — CID 103332454

IUPAC4-(3,5-difluorophenoxy)-N-ethylthieno[2,3-d]pyrimidin-2-amine
SMILESCCNc1nc(Oc2cc(F)cc(F)c2)c2ccsc2n1
InChIInChI=1S/C14H11F2N3OS/c1-2-17-14-18-12(11-3-4-21-13(11)19-14)20-10-6-8(15)5-9(16)7-10/h3-7H,2H2,1H3,(H,17,18,19)
InChIKeyYZICLWLPXYVOQB-UHFFFAOYSA-N
MW307.33 g/mol
LogP4.19
Rot. Bonds4

About 4-(3,5-difluorophenoxy)-N-ethylthieno[2,3-d]pyrimidin-2-amine

4-(3,5-difluorophenoxy)-N-ethylthieno[2,3-d]pyrimidin-2-amine (PubChem CID 103332454) has the molecular formula C14H11F2N3OS and a molecular weight of 307.33 g/mol. Its IUPAC name is 4-(3,5-difluorophenoxy)-N-ethylthieno[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound Name4-(3,5-difluorophenoxy)-N-ethylthieno[2,3-d]pyrimidin-2-amine
PubChem CID103332454
Molecular FormulaC14H11F2N3OS
Molecular Weight307.33 g/mol
Exact Mass307.06
IUPAC Name4-(3,5-difluorophenoxy)-N-ethylthieno[2,3-d]pyrimidin-2-amine
SMILESCCNc1nc(Oc2cc(F)cc(F)c2)c2ccsc2n1
InChIInChI=1S/C14H11F2N3OS/c1-2-17-14-18-12(11-3-4-21-13(11)19-14)20-10-6-8(15)5-9(16)7-10/h3-7H,2H2,1H3,(H,17,18,19)
InChIKeyYZICLWLPXYVOQB-UHFFFAOYSA-N
XLogP4.19
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.33
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(3,5-difluorophenoxy)-N-ethylthieno[2,3-d]pyrimidin-2-amine?
The IUPAC name of 4-(3,5-difluorophenoxy)-N-ethylthieno[2,3-d]pyrimidin-2-amine (CID 103332454) is 4-(3,5-difluorophenoxy)-N-ethylthieno[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for 4-(3,5-difluorophenoxy)-N-ethylthieno[2,3-d]pyrimidin-2-amine?
The canonical SMILES for 4-(3,5-difluorophenoxy)-N-ethylthieno[2,3-d]pyrimidin-2-amine is CCNc1nc(Oc2cc(F)cc(F)c2)c2ccsc2n1.
What is the InChIKey of 4-(3,5-difluorophenoxy)-N-ethylthieno[2,3-d]pyrimidin-2-amine?
The InChIKey is YZICLWLPXYVOQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F2N3OS/c1-2-17-14-18-12(11-3-4-21-13(11)19-14)20-10-6-8(15)5-9(16)7-10/h3-7H,2H2,1H3,(H,17,18,19).
What are the key properties of 4-(3,5-difluorophenoxy)-N-ethylthieno[2,3-d]pyrimidin-2-amine?
4-(3,5-difluorophenoxy)-N-ethylthieno[2,3-d]pyrimidin-2-amine has a molecular weight of 307.33 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-difluorophenoxy)-N-ethylthieno[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 103332454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).