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

C13H9ClN2OS — CID 62178883

IUPAC4-chloro-2-(3-methoxyphenyl)thieno[2,3-d]pyrimidine
SMILESCOc1cccc(-c2nc(Cl)c3ccsc3n2)c1
InChIInChI=1S/C13H9ClN2OS/c1-17-9-4-2-3-8(7-9)12-15-11(14)10-5-6-18-13(10)16-12/h2-7H,1H3
InChIKeyOLYKQXKCWMFKPX-UHFFFAOYSA-N
MW276.75 g/mol
LogP4.02
Rot. Bonds2

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

4-chloro-2-(3-methoxyphenyl)thieno[2,3-d]pyrimidine (PubChem CID 62178883) has the molecular formula C13H9ClN2OS and a molecular weight of 276.75 g/mol. Its IUPAC name is 4-chloro-2-(3-methoxyphenyl)thieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-chloro-2-(3-methoxyphenyl)thieno[2,3-d]pyrimidine
PubChem CID62178883
Molecular FormulaC13H9ClN2OS
Molecular Weight276.75 g/mol
Exact Mass276.01
IUPAC Name4-chloro-2-(3-methoxyphenyl)thieno[2,3-d]pyrimidine
SMILESCOc1cccc(-c2nc(Cl)c3ccsc3n2)c1
InChIInChI=1S/C13H9ClN2OS/c1-17-9-4-2-3-8(7-9)12-15-11(14)10-5-6-18-13(10)16-12/h2-7H,1H3
InChIKeyOLYKQXKCWMFKPX-UHFFFAOYSA-N
XLogP4.02
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.75
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-methoxyphenyl)-N-propylthieno[2,3-d]pyrimidin-4-amine
CID 62188855
4-chloro-N-(3-methoxyphenyl)thieno[2,3-d]pyrimidin-2-amine
CID 82316516
4-chloro-2-naphthalen-2-ylthieno[2,3-d]pyrimidine
CID 62717082
4,6-dichloro-5-fluoro-2-(3-methoxyphenyl)pyrimidine
CID 80550230
4-chloro-6,7-dimethoxy-2-(3-methoxyphenyl)quinazoline
CID 57328585
4-chloro-2-(3-methoxyphenyl)-5,6-dimethylthieno[2,3-d]pyrimidine
CID 43519226
4-chloro-8-fluoro-2-(3-methoxyphenyl)quinazoline
CID 114590465
4-chloro-2-(3-methoxyphenyl)-7-methylquinazoline
CID 174533075
2-(3-methoxyphenyl)-3H-thieno[2,3-d]pyrimidin-4-one
CID 82104586
7-bromo-4-chloro-2-(3-methoxyphenyl)quinazoline
CID 114590534
4-chloro-6-methoxy-2-(3-methoxyphenyl)pyrimidine
CID 82169427
5-bromo-4-tert-butyl-6-chloro-2-(3-methoxyphenyl)pyrimidine
CID 66293580

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(3-methoxyphenyl)thieno[2,3-d]pyrimidine?
The IUPAC name of 4-chloro-2-(3-methoxyphenyl)thieno[2,3-d]pyrimidine (CID 62178883) is 4-chloro-2-(3-methoxyphenyl)thieno[2,3-d]pyrimidine.
What is the SMILES notation for 4-chloro-2-(3-methoxyphenyl)thieno[2,3-d]pyrimidine?
The canonical SMILES for 4-chloro-2-(3-methoxyphenyl)thieno[2,3-d]pyrimidine is COc1cccc(-c2nc(Cl)c3ccsc3n2)c1.
What is the InChIKey of 4-chloro-2-(3-methoxyphenyl)thieno[2,3-d]pyrimidine?
The InChIKey is OLYKQXKCWMFKPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN2OS/c1-17-9-4-2-3-8(7-9)12-15-11(14)10-5-6-18-13(10)16-12/h2-7H,1H3.
What are the key properties of 4-chloro-2-(3-methoxyphenyl)thieno[2,3-d]pyrimidine?
4-chloro-2-(3-methoxyphenyl)thieno[2,3-d]pyrimidine has a molecular weight of 276.75 g/mol, XLogP of 4.02, 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)thieno[2,3-d]pyrimidine is sourced from PubChem (CID 62178883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).