4-(2,4-dimethylphenoxy)thieno[3,2-d]pyrimidine

C14H12N2OS — CID 24561427

IUPAC4-(2,4-dimethylphenoxy)thieno[3,2-d]pyrimidine
SMILESCc1ccc(Oc2ncnc3ccsc23)c(C)c1
InChIInChI=1S/C14H12N2OS/c1-9-3-4-12(10(2)7-9)17-14-13-11(5-6-18-13)15-8-16-14/h3-8H,1-2H3
InChIKeyUUYGHEBDQRWAHC-UHFFFAOYSA-N
MW256.33 g/mol
LogP4.10
Rot. Bonds2

About 4-(2,4-dimethylphenoxy)thieno[3,2-d]pyrimidine

4-(2,4-dimethylphenoxy)thieno[3,2-d]pyrimidine (PubChem CID 24561427) has the molecular formula C14H12N2OS and a molecular weight of 256.33 g/mol. Its IUPAC name is 4-(2,4-dimethylphenoxy)thieno[3,2-d]pyrimidine.

Molecular Properties

Compound Name4-(2,4-dimethylphenoxy)thieno[3,2-d]pyrimidine
PubChem CID24561427
Molecular FormulaC14H12N2OS
Molecular Weight256.33 g/mol
Exact Mass256.07
IUPAC Name4-(2,4-dimethylphenoxy)thieno[3,2-d]pyrimidine
SMILESCc1ccc(Oc2ncnc3ccsc23)c(C)c1
InChIInChI=1S/C14H12N2OS/c1-9-3-4-12(10(2)7-9)17-14-13-11(5-6-18-13)15-8-16-14/h3-8H,1-2H3
InChIKeyUUYGHEBDQRWAHC-UHFFFAOYSA-N
XLogP4.10
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(4-{4-[(E)-2-cyanoethenyl]-2,6-dimethylphenoxy}thieno[3,2-d]pyrimidin-2-yl)amino]-2-fluorobenzonitrile
CID 145865307
4-Phenoxythieno[2,3-d]pyrimidine
CID 710993
4-Chloro-6-(4-methoxyphenyl)thieno[3,2-d]pyrimidine
CID 2757656
4-(4-Methylphenoxy)thieno[2,3-d]pyrimidine
CID 710977
MRGPRX1 agonist 2
CID 719971
N-(4-methoxyphenyl)-N-methylthieno[3,2-d]pyrimidin-4-amine
CID 16666960
N-(4-methoxyphenyl)-N,7-dimethylthieno[3,2-d]pyrimidin-4-amine
CID 16666962
4-(2-(4-Cyanophenylamino)thieno[3,2-d]pyrimidin-4-yloxy)-3,5-dimethylbenzonitrile
CID 24954621
4-[2-[[1-[(4-Fluorophenyl)methyl]piperidin-4-yl]amino]thieno[3,2-d]pyrimidin-4-yl]oxy-3,5-dimethylbenzonitrile
CID 129907689
(E)-3-[3,5-dimethyl-4-[2-[[1-(4-pyridylmethyl)-4-piperidyl]amino]thieno[3,2-d]pyrimidin-4-yl]oxy-phenyl]prop-2-enenitrile
CID 129909771
4-[2-(4-Cyano-3-fluoro-anilino)thieno[3,2-d]pyrimidin-4-yl]oxy-3,5-dimethyl-benzonitrile
CID 150444685
4-[2-(4-Cyano-2-fluoroanilino)thieno[3,2-d]pyrimidin-4-yl]oxy-3,5-dimethylbenzonitrile
CID 150479435

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dimethylphenoxy)thieno[3,2-d]pyrimidine?
The IUPAC name of 4-(2,4-dimethylphenoxy)thieno[3,2-d]pyrimidine (CID 24561427) is 4-(2,4-dimethylphenoxy)thieno[3,2-d]pyrimidine.
What is the SMILES notation for 4-(2,4-dimethylphenoxy)thieno[3,2-d]pyrimidine?
The canonical SMILES for 4-(2,4-dimethylphenoxy)thieno[3,2-d]pyrimidine is Cc1ccc(Oc2ncnc3ccsc23)c(C)c1.
What is the InChIKey of 4-(2,4-dimethylphenoxy)thieno[3,2-d]pyrimidine?
The InChIKey is UUYGHEBDQRWAHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2OS/c1-9-3-4-12(10(2)7-9)17-14-13-11(5-6-18-13)15-8-16-14/h3-8H,1-2H3.
What are the key properties of 4-(2,4-dimethylphenoxy)thieno[3,2-d]pyrimidine?
4-(2,4-dimethylphenoxy)thieno[3,2-d]pyrimidine has a molecular weight of 256.33 g/mol, XLogP of 4.10, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dimethylphenoxy)thieno[3,2-d]pyrimidine is sourced from PubChem (CID 24561427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).