4-[(2-chlorophenyl)methoxy]-5,6-dimethylthieno[2,3-d]pyrimidine

C15H13ClN2OS — CID 2484158

IUPAC4-[(2-chlorophenyl)methoxy]-5,6-dimethylthieno[2,3-d]pyrimidine
SMILESCc1sc2ncnc(OCc3ccccc3Cl)c2c1C
InChIInChI=1S/C15H13ClN2OS/c1-9-10(2)20-15-13(9)14(17-8-18-15)19-7-11-5-3-4-6-12(11)16/h3-6,8H,7H2,1-2H3
InChIKeySSPHQTIBERUAQV-UHFFFAOYSA-N
MW304.80 g/mol
LogP4.54
Rot. Bonds3

About 4-[(2-chlorophenyl)methoxy]-5,6-dimethylthieno[2,3-d]pyrimidine

4-[(2-chlorophenyl)methoxy]-5,6-dimethylthieno[2,3-d]pyrimidine (PubChem CID 2484158) has the molecular formula C15H13ClN2OS and a molecular weight of 304.80 g/mol. Its IUPAC name is 4-[(2-chlorophenyl)methoxy]-5,6-dimethylthieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-[(2-chlorophenyl)methoxy]-5,6-dimethylthieno[2,3-d]pyrimidine
PubChem CID2484158
Molecular FormulaC15H13ClN2OS
Molecular Weight304.80 g/mol
Exact Mass304.04
IUPAC Name4-[(2-chlorophenyl)methoxy]-5,6-dimethylthieno[2,3-d]pyrimidine
SMILESCc1sc2ncnc(OCc3ccccc3Cl)c2c1C
InChIInChI=1S/C15H13ClN2OS/c1-9-10(2)20-15-13(9)14(17-8-18-15)19-7-11-5-3-4-6-12(11)16/h3-6,8H,7H2,1-2H3
InChIKeySSPHQTIBERUAQV-UHFFFAOYSA-N
XLogP4.54
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.80
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2,6-dichlorophenyl)methoxy]-5,6-dimethylthieno[2,3-d]pyrimidine
CID 4017331
4-[(2,4-dichlorophenyl)methoxy]-5,6-dimethylthieno[2,3-d]pyrimidine
CID 3298243
2-[2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxyethyl]aniline
CID 102902774
[2-chloro-6-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxyphenyl]methanamine
CID 114323825
(2-chlorophenyl)methyl 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylpropanoate
CID 2792063
2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxy-N-phenylacetamide
CID 2528122
methyl 4-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]benzoate
CID 2694891
1-[2-[2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxyethoxy]phenyl]ethanone
CID 112776121
4-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxyphenol
CID 60870662
1-(2-chlorophenyl)-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanol
CID 112839907
5,6-dimethyl-4-[2-(trifluoromethyl)phenoxy]thieno[2,3-d]pyrimidine
CID 166634115
4-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]-7-methoxychromen-2-one
CID 4571185

Frequently Asked Questions

What is the IUPAC name of 4-[(2-chlorophenyl)methoxy]-5,6-dimethylthieno[2,3-d]pyrimidine?
The IUPAC name of 4-[(2-chlorophenyl)methoxy]-5,6-dimethylthieno[2,3-d]pyrimidine (CID 2484158) is 4-[(2-chlorophenyl)methoxy]-5,6-dimethylthieno[2,3-d]pyrimidine.
What is the SMILES notation for 4-[(2-chlorophenyl)methoxy]-5,6-dimethylthieno[2,3-d]pyrimidine?
The canonical SMILES for 4-[(2-chlorophenyl)methoxy]-5,6-dimethylthieno[2,3-d]pyrimidine is Cc1sc2ncnc(OCc3ccccc3Cl)c2c1C.
What is the InChIKey of 4-[(2-chlorophenyl)methoxy]-5,6-dimethylthieno[2,3-d]pyrimidine?
The InChIKey is SSPHQTIBERUAQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2OS/c1-9-10(2)20-15-13(9)14(17-8-18-15)19-7-11-5-3-4-6-12(11)16/h3-6,8H,7H2,1-2H3.
What are the key properties of 4-[(2-chlorophenyl)methoxy]-5,6-dimethylthieno[2,3-d]pyrimidine?
4-[(2-chlorophenyl)methoxy]-5,6-dimethylthieno[2,3-d]pyrimidine has a molecular weight of 304.80 g/mol, XLogP of 4.54, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chlorophenyl)methoxy]-5,6-dimethylthieno[2,3-d]pyrimidine is sourced from PubChem (CID 2484158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).