4-(2-chloro-5-methylphenoxy)-N-methylthieno[2,3-d]pyrimidin-2-amine

C14H12ClN3OS — CID 103332016

IUPAC4-(2-chloro-5-methylphenoxy)-N-methylthieno[2,3-d]pyrimidin-2-amine
SMILESCNc1nc(Oc2cc(C)ccc2Cl)c2ccsc2n1
InChIInChI=1S/C14H12ClN3OS/c1-8-3-4-10(15)11(7-8)19-12-9-5-6-20-13(9)18-14(16-2)17-12/h3-7H,1-2H3,(H,16,17,18)
InChIKeyFIHKJSYLUHJTSD-UHFFFAOYSA-N
MW305.79 g/mol
LogP4.49
Rot. Bonds3

About 4-(2-chloro-5-methylphenoxy)-N-methylthieno[2,3-d]pyrimidin-2-amine

4-(2-chloro-5-methylphenoxy)-N-methylthieno[2,3-d]pyrimidin-2-amine (PubChem CID 103332016) has the molecular formula C14H12ClN3OS and a molecular weight of 305.79 g/mol. Its IUPAC name is 4-(2-chloro-5-methylphenoxy)-N-methylthieno[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound Name4-(2-chloro-5-methylphenoxy)-N-methylthieno[2,3-d]pyrimidin-2-amine
PubChem CID103332016
Molecular FormulaC14H12ClN3OS
Molecular Weight305.79 g/mol
Exact Mass305.04
IUPAC Name4-(2-chloro-5-methylphenoxy)-N-methylthieno[2,3-d]pyrimidin-2-amine
SMILESCNc1nc(Oc2cc(C)ccc2Cl)c2ccsc2n1
InChIInChI=1S/C14H12ClN3OS/c1-8-3-4-10(15)11(7-8)19-12-9-5-6-20-13(9)18-14(16-2)17-12/h3-7H,1-2H3,(H,16,17,18)
InChIKeyFIHKJSYLUHJTSD-UHFFFAOYSA-N
XLogP4.49
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.79
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-chloro-5-methylphenoxy)thieno[2,3-d]pyrimidine
CID 2399341
[4-(2-fluoro-5-methylphenoxy)thieno[2,3-d]pyrimidin-2-yl]hydrazine
CID 103336348
4-(2,5-dimethylphenoxy)-N-ethylthieno[2,3-d]pyrimidin-2-amine
CID 103331816
4-(2,3-difluorophenoxy)-N-methylthieno[2,3-d]pyrimidin-2-amine
CID 103332516
[2-[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]oxyphenyl]methanol
CID 103332566
4-(2-bromo-4-methylphenoxy)-2-chlorothieno[2,3-d]pyrimidine
CID 103319776
[4-(4-methylphenoxy)thieno[2,3-d]pyrimidin-2-yl]hydrazine
CID 103336141
5-chloro-4-(2-fluoro-5-methylphenoxy)-N-methylpyrimidin-2-amine
CID 80877850
N-methyl-4-prop-2-enoxythieno[2,3-d]pyrimidin-2-amine
CID 103331220
4-(3,4-dichlorophenyl)sulfanyl-N-methylthieno[2,3-d]pyrimidin-2-amine
CID 103335037
N-methyl-4-prop-2-ynoxythieno[2,3-d]pyrimidin-2-amine
CID 103331246
4-but-3-yn-2-yloxy-N-methylthieno[2,3-d]pyrimidin-2-amine
CID 106795448

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-5-methylphenoxy)-N-methylthieno[2,3-d]pyrimidin-2-amine?
The IUPAC name of 4-(2-chloro-5-methylphenoxy)-N-methylthieno[2,3-d]pyrimidin-2-amine (CID 103332016) is 4-(2-chloro-5-methylphenoxy)-N-methylthieno[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for 4-(2-chloro-5-methylphenoxy)-N-methylthieno[2,3-d]pyrimidin-2-amine?
The canonical SMILES for 4-(2-chloro-5-methylphenoxy)-N-methylthieno[2,3-d]pyrimidin-2-amine is CNc1nc(Oc2cc(C)ccc2Cl)c2ccsc2n1.
What is the InChIKey of 4-(2-chloro-5-methylphenoxy)-N-methylthieno[2,3-d]pyrimidin-2-amine?
The InChIKey is FIHKJSYLUHJTSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3OS/c1-8-3-4-10(15)11(7-8)19-12-9-5-6-20-13(9)18-14(16-2)17-12/h3-7H,1-2H3,(H,16,17,18).
What are the key properties of 4-(2-chloro-5-methylphenoxy)-N-methylthieno[2,3-d]pyrimidin-2-amine?
4-(2-chloro-5-methylphenoxy)-N-methylthieno[2,3-d]pyrimidin-2-amine has a molecular weight of 305.79 g/mol, XLogP of 4.49, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-5-methylphenoxy)-N-methylthieno[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 103332016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).