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

C14H11ClN2O2S — CID 947433

IUPAC4-chloro-5-(3,4-dimethoxyphenyl)thieno[2,3-d]pyrimidine
SMILESCOc1ccc(-c2csc3ncnc(Cl)c23)cc1OC
InChIInChI=1S/C14H11ClN2O2S/c1-18-10-4-3-8(5-11(10)19-2)9-6-20-14-12(9)13(15)16-7-17-14/h3-7H,1-2H3
InChIKeyRFWFLEDZTZKMOI-UHFFFAOYSA-N
MW306.77 g/mol
LogP4.03
Rot. Bonds3

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

4-chloro-5-(3,4-dimethoxyphenyl)thieno[2,3-d]pyrimidine (PubChem CID 947433) has the molecular formula C14H11ClN2O2S and a molecular weight of 306.77 g/mol. Its IUPAC name is 4-chloro-5-(3,4-dimethoxyphenyl)thieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-chloro-5-(3,4-dimethoxyphenyl)thieno[2,3-d]pyrimidine
PubChem CID947433
Molecular FormulaC14H11ClN2O2S
Molecular Weight306.77 g/mol
Exact Mass306.02
IUPAC Name4-chloro-5-(3,4-dimethoxyphenyl)thieno[2,3-d]pyrimidine
SMILESCOc1ccc(-c2csc3ncnc(Cl)c23)cc1OC
InChIInChI=1S/C14H11ClN2O2S/c1-18-10-4-3-8(5-11(10)19-2)9-6-20-14-12(9)13(15)16-7-17-14/h3-7H,1-2H3
InChIKeyRFWFLEDZTZKMOI-UHFFFAOYSA-N
XLogP4.03
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.77
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-Chloro-5-(4-methoxyphenyl)thieno[2,3-d]pyrimidine
CID 708734
N-[(3,4-dimethoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 2457290
4-Chloro-6-(4-methoxyphenyl)thieno[3,2-d]pyrimidine
CID 2757656
5-Methyl-6-(3,4,5-trimethoxyphenyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 457375
5-Methyl-6-[(3,4,5-trimethoxyphenyl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine
CID 457376
2-{[5-(4-Methoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]amino}ethanol
CID 1946404
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 2401215
T5282004
CID 2468821
N-[2-(3,4-dimethoxyphenyl)ethyl]thieno[2,3-d]pyrimidin-4-amine
CID 2100093
N-[2-(3,4-dimethoxyphenyl)ethyl]-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 2229408
N-[2-(3,4-dimethoxyphenyl)ethyl]-6-methylthieno[2,3-d]pyrimidin-4-amine hydrochloride
CID 2974648
4-[(2E)-2-(2,3-dimethoxybenzylidene)hydrazinyl]-5-phenylthieno[2,3-d]pyrimidine
CID 9635544

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-(3,4-dimethoxyphenyl)thieno[2,3-d]pyrimidine?
The IUPAC name of 4-chloro-5-(3,4-dimethoxyphenyl)thieno[2,3-d]pyrimidine (CID 947433) is 4-chloro-5-(3,4-dimethoxyphenyl)thieno[2,3-d]pyrimidine.
What is the SMILES notation for 4-chloro-5-(3,4-dimethoxyphenyl)thieno[2,3-d]pyrimidine?
The canonical SMILES for 4-chloro-5-(3,4-dimethoxyphenyl)thieno[2,3-d]pyrimidine is COc1ccc(-c2csc3ncnc(Cl)c23)cc1OC.
What is the InChIKey of 4-chloro-5-(3,4-dimethoxyphenyl)thieno[2,3-d]pyrimidine?
The InChIKey is RFWFLEDZTZKMOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2O2S/c1-18-10-4-3-8(5-11(10)19-2)9-6-20-14-12(9)13(15)16-7-17-14/h3-7H,1-2H3.
What are the key properties of 4-chloro-5-(3,4-dimethoxyphenyl)thieno[2,3-d]pyrimidine?
4-chloro-5-(3,4-dimethoxyphenyl)thieno[2,3-d]pyrimidine has a molecular weight of 306.77 g/mol, XLogP of 4.03, 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)thieno[2,3-d]pyrimidine is sourced from PubChem (CID 947433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).