4-chloro-2-[(3,5-dimethylphenyl)methyl]-6-methylthieno[2,3-d]pyrimidine

C16H15ClN2S — CID 63614537

IUPAC4-chloro-2-[(3,5-dimethylphenyl)methyl]-6-methylthieno[2,3-d]pyrimidine
SMILESCc1cc(C)cc(Cc2nc(Cl)c3cc(C)sc3n2)c1
InChIInChI=1S/C16H15ClN2S/c1-9-4-10(2)6-12(5-9)8-14-18-15(17)13-7-11(3)20-16(13)19-14/h4-7H,8H2,1-3H3
InChIKeyDJSVSJCQWNEQJY-UHFFFAOYSA-N
MW302.83 g/mol
LogP4.86
Rot. Bonds2

About 4-chloro-2-[(3,5-dimethylphenyl)methyl]-6-methylthieno[2,3-d]pyrimidine

4-chloro-2-[(3,5-dimethylphenyl)methyl]-6-methylthieno[2,3-d]pyrimidine (PubChem CID 63614537) has the molecular formula C16H15ClN2S and a molecular weight of 302.83 g/mol. Its IUPAC name is 4-chloro-2-[(3,5-dimethylphenyl)methyl]-6-methylthieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-chloro-2-[(3,5-dimethylphenyl)methyl]-6-methylthieno[2,3-d]pyrimidine
PubChem CID63614537
Molecular FormulaC16H15ClN2S
Molecular Weight302.83 g/mol
Exact Mass302.06
IUPAC Name4-chloro-2-[(3,5-dimethylphenyl)methyl]-6-methylthieno[2,3-d]pyrimidine
SMILESCc1cc(C)cc(Cc2nc(Cl)c3cc(C)sc3n2)c1
InChIInChI=1S/C16H15ClN2S/c1-9-4-10(2)6-12(5-9)8-14-18-15(17)13-7-11(3)20-16(13)19-14/h4-7H,8H2,1-3H3
InChIKeyDJSVSJCQWNEQJY-UHFFFAOYSA-N
XLogP4.86
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.83
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[(3,5-dimethylphenyl)methyl]-6-methylthieno[2,3-d]pyrimidine?
The IUPAC name of 4-chloro-2-[(3,5-dimethylphenyl)methyl]-6-methylthieno[2,3-d]pyrimidine (CID 63614537) is 4-chloro-2-[(3,5-dimethylphenyl)methyl]-6-methylthieno[2,3-d]pyrimidine.
What is the SMILES notation for 4-chloro-2-[(3,5-dimethylphenyl)methyl]-6-methylthieno[2,3-d]pyrimidine?
The canonical SMILES for 4-chloro-2-[(3,5-dimethylphenyl)methyl]-6-methylthieno[2,3-d]pyrimidine is Cc1cc(C)cc(Cc2nc(Cl)c3cc(C)sc3n2)c1.
What is the InChIKey of 4-chloro-2-[(3,5-dimethylphenyl)methyl]-6-methylthieno[2,3-d]pyrimidine?
The InChIKey is DJSVSJCQWNEQJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2S/c1-9-4-10(2)6-12(5-9)8-14-18-15(17)13-7-11(3)20-16(13)19-14/h4-7H,8H2,1-3H3.
What are the key properties of 4-chloro-2-[(3,5-dimethylphenyl)methyl]-6-methylthieno[2,3-d]pyrimidine?
4-chloro-2-[(3,5-dimethylphenyl)methyl]-6-methylthieno[2,3-d]pyrimidine has a molecular weight of 302.83 g/mol, XLogP of 4.86, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[(3,5-dimethylphenyl)methyl]-6-methylthieno[2,3-d]pyrimidine is sourced from PubChem (CID 63614537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).