4-(2-chloro-4-methylphenoxy)-6-methylthieno[2,3-d]pyrimidin-2-amine

C14H12ClN3OS — CID 103332445

IUPAC4-(2-chloro-4-methylphenoxy)-6-methylthieno[2,3-d]pyrimidin-2-amine
SMILESCc1ccc(Oc2nc(N)nc3sc(C)cc23)c(Cl)c1
InChIInChI=1S/C14H12ClN3OS/c1-7-3-4-11(10(15)5-7)19-12-9-6-8(2)20-13(9)18-14(16)17-12/h3-6H,1-2H3,(H2,16,17,18)
InChIKeyBTIWYEYMPFPAFE-UHFFFAOYSA-N
MW305.79 g/mol
LogP4.34
Rot. Bonds2

About 4-(2-chloro-4-methylphenoxy)-6-methylthieno[2,3-d]pyrimidin-2-amine

4-(2-chloro-4-methylphenoxy)-6-methylthieno[2,3-d]pyrimidin-2-amine (PubChem CID 103332445) has the molecular formula C14H12ClN3OS and a molecular weight of 305.79 g/mol. Its IUPAC name is 4-(2-chloro-4-methylphenoxy)-6-methylthieno[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound Name4-(2-chloro-4-methylphenoxy)-6-methylthieno[2,3-d]pyrimidin-2-amine
PubChem CID103332445
Molecular FormulaC14H12ClN3OS
Molecular Weight305.79 g/mol
Exact Mass305.04
IUPAC Name4-(2-chloro-4-methylphenoxy)-6-methylthieno[2,3-d]pyrimidin-2-amine
SMILESCc1ccc(Oc2nc(N)nc3sc(C)cc23)c(Cl)c1
InChIInChI=1S/C14H12ClN3OS/c1-7-3-4-11(10(15)5-7)19-12-9-6-8(2)20-13(9)18-14(16)17-12/h3-6H,1-2H3,(H2,16,17,18)
InChIKeyBTIWYEYMPFPAFE-UHFFFAOYSA-N
XLogP4.34
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.79
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(5-bromo-2-chlorophenoxy)-6-methylthieno[2,3-d]pyrimidin-2-amine
CID 103332585
4-(2-bromo-4-chlorophenoxy)-6-methylthieno[2,3-d]pyrimidin-2-amine
CID 103331934
4-(4-bromo-2-methylphenoxy)-6-methylthieno[2,3-d]pyrimidin-2-amine
CID 103332537
4-(3-chloro-2-fluorophenoxy)-6-methylthieno[2,3-d]pyrimidin-2-amine
CID 103333496
2-chloro-4-(2-fluoro-5-methylphenoxy)-6-methylthieno[2,3-d]pyrimidine
CID 103320145
4-(2,3-dimethylphenoxy)-6-methylthieno[2,3-d]pyrimidin-2-amine
CID 103331767
4-(2-ethylphenoxy)-6-methylthieno[2,3-d]pyrimidin-2-amine
CID 103332009
6-methyl-4-pyridin-3-yloxythieno[2,3-d]pyrimidin-2-amine
CID 103331947
2-chloro-4-(2-chloro-4-methylphenoxy)-6-ethylthieno[2,3-d]pyrimidine
CID 103320088
6-(2-chloro-4-methylphenoxy)pyrimidine-2,4-diamine
CID 80878907
4-(2-chloro-4-fluorophenoxy)-6-ethylthieno[2,3-d]pyrimidin-2-amine
CID 103331676
4-(2-chloro-4-methylphenoxy)-5-fluoropyrimidin-2-amine
CID 80880887

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-4-methylphenoxy)-6-methylthieno[2,3-d]pyrimidin-2-amine?
The IUPAC name of 4-(2-chloro-4-methylphenoxy)-6-methylthieno[2,3-d]pyrimidin-2-amine (CID 103332445) is 4-(2-chloro-4-methylphenoxy)-6-methylthieno[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for 4-(2-chloro-4-methylphenoxy)-6-methylthieno[2,3-d]pyrimidin-2-amine?
The canonical SMILES for 4-(2-chloro-4-methylphenoxy)-6-methylthieno[2,3-d]pyrimidin-2-amine is Cc1ccc(Oc2nc(N)nc3sc(C)cc23)c(Cl)c1.
What is the InChIKey of 4-(2-chloro-4-methylphenoxy)-6-methylthieno[2,3-d]pyrimidin-2-amine?
The InChIKey is BTIWYEYMPFPAFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3OS/c1-7-3-4-11(10(15)5-7)19-12-9-6-8(2)20-13(9)18-14(16)17-12/h3-6H,1-2H3,(H2,16,17,18).
What are the key properties of 4-(2-chloro-4-methylphenoxy)-6-methylthieno[2,3-d]pyrimidin-2-amine?
4-(2-chloro-4-methylphenoxy)-6-methylthieno[2,3-d]pyrimidin-2-amine has a molecular weight of 305.79 g/mol, XLogP of 4.34, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-4-methylphenoxy)-6-methylthieno[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 103332445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).