methyl 2-[4-[(2-chloro-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)amino]phenoxy]acetate

C15H14ClN3O3S — CID 176955908

IUPACmethyl 2-[4-[(2-chloro-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)amino]phenoxy]acetate
SMILESCOC(=O)COc1ccc(Nc2nc(Cl)nc3c2SCC3)cc1
InChIInChI=1S/C15H14ClN3O3S/c1-21-12(20)8-22-10-4-2-9(3-5-10)17-14-13-11(6-7-23-13)18-15(16)19-14/h2-5H,6-8H2,1H3,(H,17,18,19)
InChIKeyFEYNOIJSKCVCSX-UHFFFAOYSA-N
MW351.82 g/mol
LogP3.07
Rot. Bonds5

About methyl 2-[4-[(2-chloro-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)amino]phenoxy]acetate

methyl 2-[4-[(2-chloro-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)amino]phenoxy]acetate (PubChem CID 176955908) has the molecular formula C15H14ClN3O3S and a molecular weight of 351.82 g/mol. Its IUPAC name is methyl 2-[4-[(2-chloro-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)amino]phenoxy]acetate.

Molecular Properties

Compound Namemethyl 2-[4-[(2-chloro-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)amino]phenoxy]acetate
PubChem CID176955908
Molecular FormulaC15H14ClN3O3S
Molecular Weight351.82 g/mol
Exact Mass351.04
IUPAC Namemethyl 2-[4-[(2-chloro-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)amino]phenoxy]acetate
SMILESCOC(=O)COc1ccc(Nc2nc(Cl)nc3c2SCC3)cc1
InChIInChI=1S/C15H14ClN3O3S/c1-21-12(20)8-22-10-4-2-9(3-5-10)17-14-13-11(6-7-23-13)18-15(16)19-14/h2-5H,6-8H2,1H3,(H,17,18,19)
InChIKeyFEYNOIJSKCVCSX-UHFFFAOYSA-N
XLogP3.07
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.82
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 2-[4-[(2-chloro-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)amino]phenoxy]acetate with MolForge

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Related Compounds

methyl 2-[4-[(2-chloro-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)amino]pyrazol-1-yl]acetate
CID 176913261
2-chloro-N-(4-fluoro-3-methylphenyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine
CID 114268265
methyl 2-[4-[[2-(3-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]amino]phenoxy]acetate
CID 90112439
methyl 2-[4-[[4-(4-chlorophenyl)phthalazin-1-yl]amino]phenoxy]acetate
CID 5292441
methyl 2-(4-sulfanylphenoxy)acetate
CID 20770833
methyl 2-[4-[(2-chloro-5,5-dioxo-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidin-4-yl)amino]phenyl]acetate
CID 178121018
methyl 2-[(6-chloro-3-pyridinyl)oxy]acetate
CID 86099194
methyl 2-[4-[1,1-bis[4-(2-methoxy-2-oxoethoxy)phenyl]ethyl]phenoxy]acetate
CID 11519263
2,6-dichloro-4-N,8-N-bis(4-methoxyphenyl)pyrimido[5,4-d]pyrimidine-4,8-diamine
CID 11113034
methyl 2-pyridin-4-yloxyacetate
CID 90026078
methyl 2-(4-fluorophenoxy)acetate
CID 580550
methyl 2-[4-(cyclooctylamino)phenoxy]acetate
CID 43676794

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[(2-chloro-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)amino]phenoxy]acetate?
The IUPAC name of methyl 2-[4-[(2-chloro-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)amino]phenoxy]acetate (CID 176955908) is methyl 2-[4-[(2-chloro-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)amino]phenoxy]acetate.
What is the SMILES notation for methyl 2-[4-[(2-chloro-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)amino]phenoxy]acetate?
The canonical SMILES for methyl 2-[4-[(2-chloro-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)amino]phenoxy]acetate is COC(=O)COc1ccc(Nc2nc(Cl)nc3c2SCC3)cc1.
What is the InChIKey of methyl 2-[4-[(2-chloro-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)amino]phenoxy]acetate?
The InChIKey is FEYNOIJSKCVCSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3O3S/c1-21-12(20)8-22-10-4-2-9(3-5-10)17-14-13-11(6-7-23-13)18-15(16)19-14/h2-5H,6-8H2,1H3,(H,17,18,19).
What are the key properties of methyl 2-[4-[(2-chloro-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)amino]phenoxy]acetate?
methyl 2-[4-[(2-chloro-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)amino]phenoxy]acetate has a molecular weight of 351.82 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[(2-chloro-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)amino]phenoxy]acetate is sourced from PubChem (CID 176955908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).