4-chloro-2-(3-methoxyphenyl)-5,6-dimethylthieno[2,3-d]pyrimidine

C15H13ClN2OS — CID 43519226

IUPAC4-chloro-2-(3-methoxyphenyl)-5,6-dimethylthieno[2,3-d]pyrimidine
SMILESCOc1cccc(-c2nc(Cl)c3c(C)c(C)sc3n2)c1
InChIInChI=1S/C15H13ClN2OS/c1-8-9(2)20-15-12(8)13(16)17-14(18-15)10-5-4-6-11(7-10)19-3/h4-7H,1-3H3
InChIKeyUBEJAHAFTQMUPQ-UHFFFAOYSA-N
MW304.80 g/mol
LogP4.64
Rot. Bonds2

About 4-chloro-2-(3-methoxyphenyl)-5,6-dimethylthieno[2,3-d]pyrimidine

4-chloro-2-(3-methoxyphenyl)-5,6-dimethylthieno[2,3-d]pyrimidine (PubChem CID 43519226) has the molecular formula C15H13ClN2OS and a molecular weight of 304.80 g/mol. Its IUPAC name is 4-chloro-2-(3-methoxyphenyl)-5,6-dimethylthieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-chloro-2-(3-methoxyphenyl)-5,6-dimethylthieno[2,3-d]pyrimidine
PubChem CID43519226
Molecular FormulaC15H13ClN2OS
Molecular Weight304.80 g/mol
Exact Mass304.04
IUPAC Name4-chloro-2-(3-methoxyphenyl)-5,6-dimethylthieno[2,3-d]pyrimidine
SMILESCOc1cccc(-c2nc(Cl)c3c(C)c(C)sc3n2)c1
InChIInChI=1S/C15H13ClN2OS/c1-8-9(2)20-15-12(8)13(16)17-14(18-15)10-5-4-6-11(7-10)19-3/h4-7H,1-3H3
InChIKeyUBEJAHAFTQMUPQ-UHFFFAOYSA-N
XLogP4.64
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.80
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-2-(3-methoxyphenyl)thieno[2,3-d]pyrimidine
CID 62178883
4-chloro-2-(3,4-difluorophenyl)-5,6-dimethylthieno[2,3-d]pyrimidine
CID 43658628
4,6-dichloro-5-fluoro-2-(3-methoxyphenyl)pyrimidine
CID 80550230
5-bromo-4-tert-butyl-6-chloro-2-(3-methoxyphenyl)pyrimidine
CID 66293580
4-chloro-2-(3-methoxyphenyl)-7-methylquinazoline
CID 174533075
4-chloro-6,7-dimethoxy-2-(3-methoxyphenyl)quinazoline
CID 57328585
4-chloro-6-methoxy-2-(3-methoxyphenyl)pyrimidine
CID 82169427
4-chloro-6-(4-methoxyphenyl)-5-methyl-2-thiophen-2-ylthieno[2,3-d]pyrimidine
CID 89332726
4-chloro-5,6-dimethyl-2-(phenoxymethyl)thieno[2,3-d]pyrimidine
CID 43329294
4-chloro-8-fluoro-2-(3-methoxyphenyl)quinazoline
CID 114590465
N-(3-methoxyphenyl)-2,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine
CID 4225944
4-chloro-2-(2-ethoxyphenyl)-5,6-dimethylthieno[2,3-d]pyrimidine
CID 115532938

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(3-methoxyphenyl)-5,6-dimethylthieno[2,3-d]pyrimidine?
The IUPAC name of 4-chloro-2-(3-methoxyphenyl)-5,6-dimethylthieno[2,3-d]pyrimidine (CID 43519226) is 4-chloro-2-(3-methoxyphenyl)-5,6-dimethylthieno[2,3-d]pyrimidine.
What is the SMILES notation for 4-chloro-2-(3-methoxyphenyl)-5,6-dimethylthieno[2,3-d]pyrimidine?
The canonical SMILES for 4-chloro-2-(3-methoxyphenyl)-5,6-dimethylthieno[2,3-d]pyrimidine is COc1cccc(-c2nc(Cl)c3c(C)c(C)sc3n2)c1.
What is the InChIKey of 4-chloro-2-(3-methoxyphenyl)-5,6-dimethylthieno[2,3-d]pyrimidine?
The InChIKey is UBEJAHAFTQMUPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2OS/c1-8-9(2)20-15-12(8)13(16)17-14(18-15)10-5-4-6-11(7-10)19-3/h4-7H,1-3H3.
What are the key properties of 4-chloro-2-(3-methoxyphenyl)-5,6-dimethylthieno[2,3-d]pyrimidine?
4-chloro-2-(3-methoxyphenyl)-5,6-dimethylthieno[2,3-d]pyrimidine has a molecular weight of 304.80 g/mol, XLogP of 4.64, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(3-methoxyphenyl)-5,6-dimethylthieno[2,3-d]pyrimidine is sourced from PubChem (CID 43519226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).