ethyl 2-[4-chloro-5-(4-fluorophenyl)-6-methylthieno[2,3-d]pyrimidin-2-yl]acetate

C17H14ClFN2O2S — CID 87519217

IUPACethyl 2-[4-chloro-5-(4-fluorophenyl)-6-methylthieno[2,3-d]pyrimidin-2-yl]acetate
SMILESCCOC(=O)Cc1nc(Cl)c2c(-c3ccc(F)cc3)c(C)sc2n1
InChIInChI=1S/C17H14ClFN2O2S/c1-3-23-13(22)8-12-20-16(18)15-14(9(2)24-17(15)21-12)10-4-6-11(19)7-5-10/h4-7H,3,8H2,1-2H3
InChIKeyJMCJXGFBKATMGW-UHFFFAOYSA-N
MW364.83 g/mol
LogP4.56
Rot. Bonds4

About ethyl 2-[4-chloro-5-(4-fluorophenyl)-6-methylthieno[2,3-d]pyrimidin-2-yl]acetate

ethyl 2-[4-chloro-5-(4-fluorophenyl)-6-methylthieno[2,3-d]pyrimidin-2-yl]acetate (PubChem CID 87519217) has the molecular formula C17H14ClFN2O2S and a molecular weight of 364.83 g/mol. Its IUPAC name is ethyl 2-[4-chloro-5-(4-fluorophenyl)-6-methylthieno[2,3-d]pyrimidin-2-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[4-chloro-5-(4-fluorophenyl)-6-methylthieno[2,3-d]pyrimidin-2-yl]acetate
PubChem CID87519217
Molecular FormulaC17H14ClFN2O2S
Molecular Weight364.83 g/mol
Exact Mass364.04
IUPAC Nameethyl 2-[4-chloro-5-(4-fluorophenyl)-6-methylthieno[2,3-d]pyrimidin-2-yl]acetate
SMILESCCOC(=O)Cc1nc(Cl)c2c(-c3ccc(F)cc3)c(C)sc2n1
InChIInChI=1S/C17H14ClFN2O2S/c1-3-23-13(22)8-12-20-16(18)15-14(9(2)24-17(15)21-12)10-4-6-11(19)7-5-10/h4-7H,3,8H2,1-2H3
InChIKeyJMCJXGFBKATMGW-UHFFFAOYSA-N
XLogP4.56
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.83
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 2-[4-chloro-5-(4-fluorophenyl)-6-methylthieno[2,3-d]pyrimidin-2-yl]acetate with MolForge

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Related Compounds

4-chloro-N-ethyl-5-(4-fluorophenyl)-6-methylthieno[2,3-d]pyrimidin-2-amine
CID 95507149
butyl 2-[[5-(4-fluorophenyl)-6-methyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]sulfanyl]acetate
CID 18269676
2-chloro-5-(4-fluorophenyl)-N,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 93214424
N,N-diethyl-2-[[5-(4-fluorophenyl)-6-methyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]sulfanyl]acetamide
CID 7530534
2-[[5-(4-fluorophenyl)-6-methyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]sulfanyl]acetic acid
CID 28899460
2-[(2-chlorophenyl)methyl]-5-(4-fluorophenyl)-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 167813649
ethyl 2-[5-(4-fluorophenyl)-4-[(6-methyl-2-pyridinyl)methylamino]thieno[2,3-d]pyrimidin-2-yl]acetate
CID 67382329
diethyl 2-[5-(4-fluorophenyl)-6-methyl-4-[(6-methyl-2-pyridinyl)methylamino]thieno[2,3-d]pyrimidin-2-yl]propanedioate
CID 68622433
methyl 2-[5-(4-fluorophenyl)-6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl]butanoate
CID 5007669
ethyl 2-[4-(4-fluorophenyl)-2-methyl-1,3-oxazol-5-yl]acetate
CID 102588150
2-[5-(4-fluorophenyl)-2-(2-methoxyethyl)-6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl]acetic acid
CID 28898616
4,6-dichloro-2-ethyl-5-(4-fluorophenyl)pyrimidine
CID 79437703

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-chloro-5-(4-fluorophenyl)-6-methylthieno[2,3-d]pyrimidin-2-yl]acetate?
The IUPAC name of ethyl 2-[4-chloro-5-(4-fluorophenyl)-6-methylthieno[2,3-d]pyrimidin-2-yl]acetate (CID 87519217) is ethyl 2-[4-chloro-5-(4-fluorophenyl)-6-methylthieno[2,3-d]pyrimidin-2-yl]acetate.
What is the SMILES notation for ethyl 2-[4-chloro-5-(4-fluorophenyl)-6-methylthieno[2,3-d]pyrimidin-2-yl]acetate?
The canonical SMILES for ethyl 2-[4-chloro-5-(4-fluorophenyl)-6-methylthieno[2,3-d]pyrimidin-2-yl]acetate is CCOC(=O)Cc1nc(Cl)c2c(-c3ccc(F)cc3)c(C)sc2n1.
What is the InChIKey of ethyl 2-[4-chloro-5-(4-fluorophenyl)-6-methylthieno[2,3-d]pyrimidin-2-yl]acetate?
The InChIKey is JMCJXGFBKATMGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClFN2O2S/c1-3-23-13(22)8-12-20-16(18)15-14(9(2)24-17(15)21-12)10-4-6-11(19)7-5-10/h4-7H,3,8H2,1-2H3.
What are the key properties of ethyl 2-[4-chloro-5-(4-fluorophenyl)-6-methylthieno[2,3-d]pyrimidin-2-yl]acetate?
ethyl 2-[4-chloro-5-(4-fluorophenyl)-6-methylthieno[2,3-d]pyrimidin-2-yl]acetate has a molecular weight of 364.83 g/mol, XLogP of 4.56, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-chloro-5-(4-fluorophenyl)-6-methylthieno[2,3-d]pyrimidin-2-yl]acetate is sourced from PubChem (CID 87519217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).