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

C13H9ClN2OS — CID 43332773

IUPAC4-chloro-6-(3-methoxyphenyl)thieno[3,2-d]pyrimidine
SMILESCOc1cccc(-c2cc3ncnc(Cl)c3s2)c1
InChIInChI=1S/C13H9ClN2OS/c1-17-9-4-2-3-8(5-9)11-6-10-12(18-11)13(14)16-7-15-10/h2-7H,1H3
InChIKeyXBFAAHOXGKVPSI-UHFFFAOYSA-N
MW276.75 g/mol
LogP4.02
Rot. Bonds2

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

4-chloro-6-(3-methoxyphenyl)thieno[3,2-d]pyrimidine (PubChem CID 43332773) has the molecular formula C13H9ClN2OS and a molecular weight of 276.75 g/mol. Its IUPAC name is 4-chloro-6-(3-methoxyphenyl)thieno[3,2-d]pyrimidine.

Molecular Properties

Compound Name4-chloro-6-(3-methoxyphenyl)thieno[3,2-d]pyrimidine
PubChem CID43332773
Molecular FormulaC13H9ClN2OS
Molecular Weight276.75 g/mol
Exact Mass276.01
IUPAC Name4-chloro-6-(3-methoxyphenyl)thieno[3,2-d]pyrimidine
SMILESCOc1cccc(-c2cc3ncnc(Cl)c3s2)c1
InChIInChI=1S/C13H9ClN2OS/c1-17-9-4-2-3-8(5-9)11-6-10-12(18-11)13(14)16-7-15-10/h2-7H,1H3
InChIKeyXBFAAHOXGKVPSI-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

4-chloro-6-phenylthieno[3,2-d]pyrimidine
CID 2757862
4-chloro-6-(3,4-difluorophenyl)thieno[3,2-d]pyrimidine
CID 43332794
4-chloro-6-(3,5-dichlorophenyl)thieno[3,2-d]pyrimidine
CID 43332783
2-chloro-5-(3-methoxyphenyl)-1,3-thiazole
CID 117259772
4-chloro-6-(3-chloro-5-methylphenyl)thieno[3,2-d]pyrimidine
CID 81324041
6-(3-methoxyphenyl)-3-[(3-methoxyphenyl)methyl]thieno[3,2-d]pyrimidin-4-one
CID 102232676
N-benzyl-N-(1,3-dioxol-4-ylmethyl)-6-(3-methoxyphenyl)thieno[3,2-d]pyrimidin-4-amine
CID 57457312
6-chloro-8-(3-methoxyphenyl)-7H-purine
CID 24903924
4-chloro-6-(2-methyl-6-nitrophenyl)thieno[3,2-d]pyrimidine
CID 43332810
4-chloro-6-(5-chloro-2-methylphenyl)thieno[3,2-d]pyrimidine
CID 82883998
6-(2-bromo-6-fluorophenyl)-4-chlorothieno[3,2-d]pyrimidine
CID 114560090
2,5-bis(3-methoxyphenyl)-3-methylthiophene
CID 123497172

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(3-methoxyphenyl)thieno[3,2-d]pyrimidine?
The IUPAC name of 4-chloro-6-(3-methoxyphenyl)thieno[3,2-d]pyrimidine (CID 43332773) is 4-chloro-6-(3-methoxyphenyl)thieno[3,2-d]pyrimidine.
What is the SMILES notation for 4-chloro-6-(3-methoxyphenyl)thieno[3,2-d]pyrimidine?
The canonical SMILES for 4-chloro-6-(3-methoxyphenyl)thieno[3,2-d]pyrimidine is COc1cccc(-c2cc3ncnc(Cl)c3s2)c1.
What is the InChIKey of 4-chloro-6-(3-methoxyphenyl)thieno[3,2-d]pyrimidine?
The InChIKey is XBFAAHOXGKVPSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN2OS/c1-17-9-4-2-3-8(5-9)11-6-10-12(18-11)13(14)16-7-15-10/h2-7H,1H3.
What are the key properties of 4-chloro-6-(3-methoxyphenyl)thieno[3,2-d]pyrimidine?
4-chloro-6-(3-methoxyphenyl)thieno[3,2-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-6-(3-methoxyphenyl)thieno[3,2-d]pyrimidine is sourced from PubChem (CID 43332773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).