4-(2-chloro-4-fluorophenoxy)-6-ethylthieno[2,3-d]pyrimidin-2-amine

C14H11ClFN3OS — CID 103331676

IUPAC4-(2-chloro-4-fluorophenoxy)-6-ethylthieno[2,3-d]pyrimidin-2-amine
SMILESCCc1cc2c(Oc3ccc(F)cc3Cl)nc(N)nc2s1
InChIInChI=1S/C14H11ClFN3OS/c1-2-8-6-9-12(18-14(17)19-13(9)21-8)20-11-4-3-7(16)5-10(11)15/h3-6H,2H2,1H3,(H2,17,18,19)
InChIKeyUDPLPZGHHQQJAT-UHFFFAOYSA-N
MW323.78 g/mol
LogP4.42
Rot. Bonds3

About 4-(2-chloro-4-fluorophenoxy)-6-ethylthieno[2,3-d]pyrimidin-2-amine

4-(2-chloro-4-fluorophenoxy)-6-ethylthieno[2,3-d]pyrimidin-2-amine (PubChem CID 103331676) has the molecular formula C14H11ClFN3OS and a molecular weight of 323.78 g/mol. Its IUPAC name is 4-(2-chloro-4-fluorophenoxy)-6-ethylthieno[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound Name4-(2-chloro-4-fluorophenoxy)-6-ethylthieno[2,3-d]pyrimidin-2-amine
PubChem CID103331676
Molecular FormulaC14H11ClFN3OS
Molecular Weight323.78 g/mol
Exact Mass323.03
IUPAC Name4-(2-chloro-4-fluorophenoxy)-6-ethylthieno[2,3-d]pyrimidin-2-amine
SMILESCCc1cc2c(Oc3ccc(F)cc3Cl)nc(N)nc2s1
InChIInChI=1S/C14H11ClFN3OS/c1-2-8-6-9-12(18-14(17)19-13(9)21-8)20-11-4-3-7(16)5-10(11)15/h3-6H,2H2,1H3,(H2,17,18,19)
InChIKeyUDPLPZGHHQQJAT-UHFFFAOYSA-N
XLogP4.42
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.78
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(5-chloro-2-methylphenoxy)-6-ethylthieno[2,3-d]pyrimidin-2-amine
CID 103332918
6-ethyl-4-(2-methoxyphenoxy)thieno[2,3-d]pyrimidin-2-amine
CID 103331898
4-(4-bromo-2-methylphenoxy)-6-ethylthieno[2,3-d]pyrimidin-2-amine
CID 103332531
2-chloro-4-(2-chloro-4-methylphenoxy)-6-ethylthieno[2,3-d]pyrimidine
CID 103320088
6-ethyl-4-(3-fluoro-4-methylphenoxy)thieno[2,3-d]pyrimidin-2-amine
CID 107171824
4-(3,5-dimethylphenoxy)-6-ethylthieno[2,3-d]pyrimidin-2-amine
CID 103331829
6-ethyl-4-pyridin-3-yloxythieno[2,3-d]pyrimidin-2-amine
CID 103331942
4-(2-chloro-4-methylphenoxy)-6-methylthieno[2,3-d]pyrimidin-2-amine
CID 103332445
6-ethyl-4-(3-methoxyphenoxy)thieno[2,3-d]pyrimidin-2-amine
CID 103331770
6-ethyl-4-(3-ethylphenoxy)thieno[2,3-d]pyrimidin-2-amine
CID 103331559
4-(2,4-difluorophenyl)sulfanyl-6-ethylthieno[2,3-d]pyrimidin-2-amine
CID 103334079
4-(4-bromo-2-fluorophenoxy)-2-chloro-6-ethylthieno[2,3-d]pyrimidine
CID 103319978

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-4-fluorophenoxy)-6-ethylthieno[2,3-d]pyrimidin-2-amine?
The IUPAC name of 4-(2-chloro-4-fluorophenoxy)-6-ethylthieno[2,3-d]pyrimidin-2-amine (CID 103331676) is 4-(2-chloro-4-fluorophenoxy)-6-ethylthieno[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for 4-(2-chloro-4-fluorophenoxy)-6-ethylthieno[2,3-d]pyrimidin-2-amine?
The canonical SMILES for 4-(2-chloro-4-fluorophenoxy)-6-ethylthieno[2,3-d]pyrimidin-2-amine is CCc1cc2c(Oc3ccc(F)cc3Cl)nc(N)nc2s1.
What is the InChIKey of 4-(2-chloro-4-fluorophenoxy)-6-ethylthieno[2,3-d]pyrimidin-2-amine?
The InChIKey is UDPLPZGHHQQJAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClFN3OS/c1-2-8-6-9-12(18-14(17)19-13(9)21-8)20-11-4-3-7(16)5-10(11)15/h3-6H,2H2,1H3,(H2,17,18,19).
What are the key properties of 4-(2-chloro-4-fluorophenoxy)-6-ethylthieno[2,3-d]pyrimidin-2-amine?
4-(2-chloro-4-fluorophenoxy)-6-ethylthieno[2,3-d]pyrimidin-2-amine has a molecular weight of 323.78 g/mol, XLogP of 4.42, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-4-fluorophenoxy)-6-ethylthieno[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 103331676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).