4-chloro-6-(4-methoxyphenyl)-5-methyl-2-thiophen-2-ylthieno[2,3-d]pyrimidine

C18H13ClN2OS2 — CID 89332726

IUPAC4-chloro-6-(4-methoxyphenyl)-5-methyl-2-thiophen-2-ylthieno[2,3-d]pyrimidine
SMILESCOc1ccc(-c2sc3nc(-c4cccs4)nc(Cl)c3c2C)cc1
InChIInChI=1S/C18H13ClN2OS2/c1-10-14-16(19)20-17(13-4-3-9-23-13)21-18(14)24-15(10)11-5-7-12(22-2)8-6-11/h3-9H,1-2H3
InChIKeyYXYIDMFEWDSCJO-UHFFFAOYSA-N
MW372.90 g/mol
LogP6.06
Rot. Bonds3

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

4-chloro-6-(4-methoxyphenyl)-5-methyl-2-thiophen-2-ylthieno[2,3-d]pyrimidine (PubChem CID 89332726) has the molecular formula C18H13ClN2OS2 and a molecular weight of 372.90 g/mol. Its IUPAC name is 4-chloro-6-(4-methoxyphenyl)-5-methyl-2-thiophen-2-ylthieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-chloro-6-(4-methoxyphenyl)-5-methyl-2-thiophen-2-ylthieno[2,3-d]pyrimidine
PubChem CID89332726
Molecular FormulaC18H13ClN2OS2
Molecular Weight372.90 g/mol
Exact Mass372.02
IUPAC Name4-chloro-6-(4-methoxyphenyl)-5-methyl-2-thiophen-2-ylthieno[2,3-d]pyrimidine
SMILESCOc1ccc(-c2sc3nc(-c4cccs4)nc(Cl)c3c2C)cc1
InChIInChI=1S/C18H13ClN2OS2/c1-10-14-16(19)20-17(13-4-3-9-23-13)21-18(14)24-15(10)11-5-7-12(22-2)8-6-11/h3-9H,1-2H3
InChIKeyYXYIDMFEWDSCJO-UHFFFAOYSA-N
XLogP6.06
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.90
LogP ≤ 56.06
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
6-Benzyl-2-(3-methoxyphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 45275172
6-(2-Methoxy-benzyl)-2-(4-methyl-thiazol-2-yl)-thieno[2,3-d]pyrimidin-4-ylamine
CID 45275718
4-Chloro-5-(3,4-dimethoxyphenyl)thieno[2,3-d]pyrimidine
CID 947433
4-(4-chloro-2-methyl-8,9-dihydro-7H-cyclopenta[5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-10-yl)phenyl methyl ether
CID 990659
4-Chloro-5-(3,4-dimethoxyphenyl)-2-methylthieno[2,3-d]pyrimidine
CID 2446551
4-Chloro-5-(3,4-dimethoxyphenyl)-2-pyridin-3-ylthieno[2,3-d]pyrimidine
CID 2566116
5-(4-Methoxyphenyl)-4-[(1-methyl-5-tetrazolyl)thio]thieno[2,3-d]pyrimidine
CID 26471808
6-(2-methoxyphenyl)-N-(thiophen-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 118734210
6-(2-methoxyphenyl)-N-[(1R)-1-thiophen-2-ylethyl]thieno[2,3-d]pyrimidin-4-amine
CID 118734211
4-[(3-Fluoro-4-methoxyphenyl)methylsulfanyl]thieno[2,3-d]pyrimidine
CID 2567286
N-[2-(4-methoxyphenyl)ethyl]thieno[2,3-d]pyrimidin-4-amine
CID 2469149

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(4-methoxyphenyl)-5-methyl-2-thiophen-2-ylthieno[2,3-d]pyrimidine?
The IUPAC name of 4-chloro-6-(4-methoxyphenyl)-5-methyl-2-thiophen-2-ylthieno[2,3-d]pyrimidine (CID 89332726) is 4-chloro-6-(4-methoxyphenyl)-5-methyl-2-thiophen-2-ylthieno[2,3-d]pyrimidine.
What is the SMILES notation for 4-chloro-6-(4-methoxyphenyl)-5-methyl-2-thiophen-2-ylthieno[2,3-d]pyrimidine?
The canonical SMILES for 4-chloro-6-(4-methoxyphenyl)-5-methyl-2-thiophen-2-ylthieno[2,3-d]pyrimidine is COc1ccc(-c2sc3nc(-c4cccs4)nc(Cl)c3c2C)cc1.
What is the InChIKey of 4-chloro-6-(4-methoxyphenyl)-5-methyl-2-thiophen-2-ylthieno[2,3-d]pyrimidine?
The InChIKey is YXYIDMFEWDSCJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClN2OS2/c1-10-14-16(19)20-17(13-4-3-9-23-13)21-18(14)24-15(10)11-5-7-12(22-2)8-6-11/h3-9H,1-2H3.
What are the key properties of 4-chloro-6-(4-methoxyphenyl)-5-methyl-2-thiophen-2-ylthieno[2,3-d]pyrimidine?
4-chloro-6-(4-methoxyphenyl)-5-methyl-2-thiophen-2-ylthieno[2,3-d]pyrimidine has a molecular weight of 372.90 g/mol, XLogP of 6.06, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(4-methoxyphenyl)-5-methyl-2-thiophen-2-ylthieno[2,3-d]pyrimidine is sourced from PubChem (CID 89332726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).