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

C13H9F2N3OS — CID 103332516

IUPAC4-(2,3-difluorophenoxy)-N-methylthieno[2,3-d]pyrimidin-2-amine
SMILESCNc1nc(Oc2cccc(F)c2F)c2ccsc2n1
InChIInChI=1S/C13H9F2N3OS/c1-16-13-17-11(7-5-6-20-12(7)18-13)19-9-4-2-3-8(14)10(9)15/h2-6H,1H3,(H,16,17,18)
InChIKeyILWXZRXKZCIUOQ-UHFFFAOYSA-N
MW293.30 g/mol
LogP3.80
Rot. Bonds3

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

4-(2,3-difluorophenoxy)-N-methylthieno[2,3-d]pyrimidin-2-amine (PubChem CID 103332516) has the molecular formula C13H9F2N3OS and a molecular weight of 293.30 g/mol. Its IUPAC name is 4-(2,3-difluorophenoxy)-N-methylthieno[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound Name4-(2,3-difluorophenoxy)-N-methylthieno[2,3-d]pyrimidin-2-amine
PubChem CID103332516
Molecular FormulaC13H9F2N3OS
Molecular Weight293.30 g/mol
Exact Mass293.04
IUPAC Name4-(2,3-difluorophenoxy)-N-methylthieno[2,3-d]pyrimidin-2-amine
SMILESCNc1nc(Oc2cccc(F)c2F)c2ccsc2n1
InChIInChI=1S/C13H9F2N3OS/c1-16-13-17-11(7-5-6-20-12(7)18-13)19-9-4-2-3-8(14)10(9)15/h2-6H,1H3,(H,16,17,18)
InChIKeyILWXZRXKZCIUOQ-UHFFFAOYSA-N
XLogP3.80
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.30
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]oxyphenyl]methanol
CID 103332566
4-N-(2,6-difluorophenyl)-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103323324
4-(2-chloro-5-methylphenoxy)-N-methylthieno[2,3-d]pyrimidin-2-amine
CID 103332016
2-chloro-4-(2-fluorophenoxy)thieno[2,3-d]pyrimidine
CID 103319903
4-(3-chloro-2-fluorophenoxy)thieno[2,3-d]pyrimidin-2-amine
CID 103333492
N-methyl-4-(2,2,3,3,3-pentafluoropropoxy)thieno[2,3-d]pyrimidin-2-amine
CID 103333001
[4-(2-fluoro-5-methylphenoxy)thieno[2,3-d]pyrimidin-2-yl]hydrazine
CID 103336348
N-methyl-4-prop-2-enoxythieno[2,3-d]pyrimidin-2-amine
CID 103331220
2-N-methyl-4-N-(2,3,4-trifluorophenyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103323372
N-methyl-4-prop-2-ynoxythieno[2,3-d]pyrimidin-2-amine
CID 103331246
2-(2-chlorothieno[2,3-d]pyrimidin-4-yl)oxy-6-fluorobenzonitrile
CID 103320002
N-ethyl-4-(2-methylphenoxy)thieno[2,3-d]pyrimidin-2-amine
CID 103331842

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-difluorophenoxy)-N-methylthieno[2,3-d]pyrimidin-2-amine?
The IUPAC name of 4-(2,3-difluorophenoxy)-N-methylthieno[2,3-d]pyrimidin-2-amine (CID 103332516) is 4-(2,3-difluorophenoxy)-N-methylthieno[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for 4-(2,3-difluorophenoxy)-N-methylthieno[2,3-d]pyrimidin-2-amine?
The canonical SMILES for 4-(2,3-difluorophenoxy)-N-methylthieno[2,3-d]pyrimidin-2-amine is CNc1nc(Oc2cccc(F)c2F)c2ccsc2n1.
What is the InChIKey of 4-(2,3-difluorophenoxy)-N-methylthieno[2,3-d]pyrimidin-2-amine?
The InChIKey is ILWXZRXKZCIUOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F2N3OS/c1-16-13-17-11(7-5-6-20-12(7)18-13)19-9-4-2-3-8(14)10(9)15/h2-6H,1H3,(H,16,17,18).
What are the key properties of 4-(2,3-difluorophenoxy)-N-methylthieno[2,3-d]pyrimidin-2-amine?
4-(2,3-difluorophenoxy)-N-methylthieno[2,3-d]pyrimidin-2-amine has a molecular weight of 293.30 g/mol, XLogP of 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-difluorophenoxy)-N-methylthieno[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 103332516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).