4-chloro-5-(3,4-dimethoxyphenyl)-2-methylthieno[2,3-d]pyrimidine

C15H13ClN2O2S — CID 2446551

IUPAC4-chloro-5-(3,4-dimethoxyphenyl)-2-methylthieno[2,3-d]pyrimidine
SMILESCOc1ccc(-c2csc3nc(C)nc(Cl)c23)cc1OC
InChIInChI=1S/C15H13ClN2O2S/c1-8-17-14(16)13-10(7-21-15(13)18-8)9-4-5-11(19-2)12(6-9)20-3/h4-7H,1-3H3
InChIKeyROZKFGBUYNZHEX-UHFFFAOYSA-N
MW320.80 g/mol
LogP4.34
Rot. Bonds3

About 4-chloro-5-(3,4-dimethoxyphenyl)-2-methylthieno[2,3-d]pyrimidine

4-chloro-5-(3,4-dimethoxyphenyl)-2-methylthieno[2,3-d]pyrimidine (PubChem CID 2446551) has the molecular formula C15H13ClN2O2S and a molecular weight of 320.80 g/mol. Its IUPAC name is 4-chloro-5-(3,4-dimethoxyphenyl)-2-methylthieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-chloro-5-(3,4-dimethoxyphenyl)-2-methylthieno[2,3-d]pyrimidine
PubChem CID2446551
Molecular FormulaC15H13ClN2O2S
Molecular Weight320.80 g/mol
Exact Mass320.04
IUPAC Name4-chloro-5-(3,4-dimethoxyphenyl)-2-methylthieno[2,3-d]pyrimidine
SMILESCOc1ccc(-c2csc3nc(C)nc(Cl)c23)cc1OC
InChIInChI=1S/C15H13ClN2O2S/c1-8-17-14(16)13-10(7-21-15(13)18-8)9-4-5-11(19-2)12(6-9)20-3/h4-7H,1-3H3
InChIKeyROZKFGBUYNZHEX-UHFFFAOYSA-N
XLogP4.34
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.80
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

CID 708734
CID 708734
CID 2457290
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CID 457378
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CID 2401215
CID 2401215
CID 2100093
CID 2100093
CID 3913718
CID 3913718
CID 457372
CID 457372
CID 457375
CID 457375
CID 457376
CID 457376
CID 947433
CID 947433
CID 990659
CID 990659
CID 2566116
CID 2566116

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-(3,4-dimethoxyphenyl)-2-methylthieno[2,3-d]pyrimidine?
The IUPAC name of 4-chloro-5-(3,4-dimethoxyphenyl)-2-methylthieno[2,3-d]pyrimidine (CID 2446551) is 4-chloro-5-(3,4-dimethoxyphenyl)-2-methylthieno[2,3-d]pyrimidine.
What is the SMILES notation for 4-chloro-5-(3,4-dimethoxyphenyl)-2-methylthieno[2,3-d]pyrimidine?
The canonical SMILES for 4-chloro-5-(3,4-dimethoxyphenyl)-2-methylthieno[2,3-d]pyrimidine is COc1ccc(-c2csc3nc(C)nc(Cl)c23)cc1OC.
What is the InChIKey of 4-chloro-5-(3,4-dimethoxyphenyl)-2-methylthieno[2,3-d]pyrimidine?
The InChIKey is ROZKFGBUYNZHEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O2S/c1-8-17-14(16)13-10(7-21-15(13)18-8)9-4-5-11(19-2)12(6-9)20-3/h4-7H,1-3H3.
What are the key properties of 4-chloro-5-(3,4-dimethoxyphenyl)-2-methylthieno[2,3-d]pyrimidine?
4-chloro-5-(3,4-dimethoxyphenyl)-2-methylthieno[2,3-d]pyrimidine has a molecular weight of 320.80 g/mol, XLogP of 4.34, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-(3,4-dimethoxyphenyl)-2-methylthieno[2,3-d]pyrimidine is sourced from PubChem (CID 2446551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).