methyl 2-[1-[2-[2-(2-methoxyphenyl)ethoxy]-5-methyl-6-(1,3-oxazol-2-yl)-4-oxothieno[2,3-d]pyrimidin-3-yl]cyclopropyl]acetate

C25H25N3O6S — CID 137435743

IUPACmethyl 2-[1-[2-[2-(2-methoxyphenyl)ethoxy]-5-methyl-6-(1,3-oxazol-2-yl)-4-oxothieno[2,3-d]pyrimidin-3-yl]cyclopropyl]acetate
SMILESCOC(=O)CC1(n2c(OCCc3ccccc3OC)nc3sc(-c4ncco4)c(C)c3c2=O)CC1
InChIInChI=1S/C25H25N3O6S/c1-15-19-22(35-20(15)21-26-11-13-33-21)27-24(34-12-8-16-6-4-5-7-17(16)31-2)28(23(19)30)25(9-10-25)14-18(29)32-3/h4-7,11,13H,8-10,12,14H2,1-3H3
InChIKeyDDERGCBVYODAEP-UHFFFAOYSA-N
MW495.56 g/mol
LogP4.10
Rot. Bonds9

About methyl 2-[1-[2-[2-(2-methoxyphenyl)ethoxy]-5-methyl-6-(1,3-oxazol-2-yl)-4-oxothieno[2,3-d]pyrimidin-3-yl]cyclopropyl]acetate

methyl 2-[1-[2-[2-(2-methoxyphenyl)ethoxy]-5-methyl-6-(1,3-oxazol-2-yl)-4-oxothieno[2,3-d]pyrimidin-3-yl]cyclopropyl]acetate (PubChem CID 137435743) has the molecular formula C25H25N3O6S and a molecular weight of 495.56 g/mol. Its IUPAC name is methyl 2-[1-[2-[2-(2-methoxyphenyl)ethoxy]-5-methyl-6-(1,3-oxazol-2-yl)-4-oxothieno[2,3-d]pyrimidin-3-yl]cyclopropyl]acetate.

Molecular Properties

Compound Namemethyl 2-[1-[2-[2-(2-methoxyphenyl)ethoxy]-5-methyl-6-(1,3-oxazol-2-yl)-4-oxothieno[2,3-d]pyrimidin-3-yl]cyclopropyl]acetate
PubChem CID137435743
Molecular FormulaC25H25N3O6S
Molecular Weight495.56 g/mol
Exact Mass495.15
IUPAC Namemethyl 2-[1-[2-[2-(2-methoxyphenyl)ethoxy]-5-methyl-6-(1,3-oxazol-2-yl)-4-oxothieno[2,3-d]pyrimidin-3-yl]cyclopropyl]acetate
SMILESCOC(=O)CC1(n2c(OCCc3ccccc3OC)nc3sc(-c4ncco4)c(C)c3c2=O)CC1
InChIInChI=1S/C25H25N3O6S/c1-15-19-22(35-20(15)21-26-11-13-33-21)27-24(34-12-8-16-6-4-5-7-17(16)31-2)28(23(19)30)25(9-10-25)14-18(29)32-3/h4-7,11,13H,8-10,12,14H2,1-3H3
InChIKeyDDERGCBVYODAEP-UHFFFAOYSA-N
XLogP4.10
TPSA105.68 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.56
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze methyl 2-[1-[2-[2-(2-methoxyphenyl)ethoxy]-5-methyl-6-(1,3-oxazol-2-yl)-4-oxothieno[2,3-d]pyrimidin-3-yl]cyclopropyl]acetate with MolForge

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Related Compounds

tert-butyl 2-[7-[2-(2-methoxyphenyl)ethyl]-3-methyl-2-(1,3-oxazol-2-yl)-4-oxothieno[3,2-c]pyridin-5-yl]acetate
CID 121286762
2-[1-[2-(2-methoxyphenyl)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]-N-propylacetamide
CID 145304401
(2-methoxy-2-oxoethyl) 7'-[2-(2-methoxyphenyl)ethyl]-3'-methyl-2'-(1,3-oxazol-2-yl)-4',6'-dioxospiro[piperidine-4,5'-thieno[2,3-b]pyridine]-1-carboxylate
CID 166814188
3-(1-hydroxy-2-methylpropan-2-yl)-1-[2-(2-methoxyphenyl)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)thieno[2,3-d]pyrimidine-2,4-dione
CID 134570065
7'-[2-(2-methoxyphenyl)ethyl]-3'-methyl-2'-(1,3-oxazol-2-yl)-4',6'-dioxospiro[piperidine-4,5'-thieno[2,3-b]pyridine]-1-carboxamide
CID 166814209
2-[1-[1-[2-[2-(4-hydroxyoxan-3-yl)-6-methoxyphenyl]ethyl]-5-methyl-6-(1,3-oxazol-2-yl)-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]cyclopropyl]acetic acid
CID 137435788
2-[7-[2-(2-methoxyphenyl)ethyl]-2-(1,3-oxazol-2-yl)-4-oxo-[1,3]thiazolo[4,5-c]pyridin-5-yl]-2-methylpropanoic acid
CID 123798146
ethane-1,2-diol;2-[1-[2-(2-methoxyphenyl)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]-N-methyl-N-propylacetamide
CID 145304187
3-[7-[2-(2-methoxyphenyl)ethyl]-3-methyl-2-(1,3-oxazol-2-yl)-4-oxothieno[3,2-c]pyridin-5-yl]propanenitrile;oxan-4-ol
CID 144744437
1-[1-[2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]-N-methylcyclobutane-1-carboxamide
CID 153490106
methyl 1-[6-bromo-2-[2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethoxy]-5-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl]cyclopropane-1-carboxylate
CID 153490116
2-[1-[2-(2-methoxyphenyl)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)-2,2,4-trioxothieno[2,3-c][1,2,6]thiadiazin-3-yl]-2-methylpropanoic acid;propan-2-ol
CID 144744495

Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-[2-[2-(2-methoxyphenyl)ethoxy]-5-methyl-6-(1,3-oxazol-2-yl)-4-oxothieno[2,3-d]pyrimidin-3-yl]cyclopropyl]acetate?
The IUPAC name of methyl 2-[1-[2-[2-(2-methoxyphenyl)ethoxy]-5-methyl-6-(1,3-oxazol-2-yl)-4-oxothieno[2,3-d]pyrimidin-3-yl]cyclopropyl]acetate (CID 137435743) is methyl 2-[1-[2-[2-(2-methoxyphenyl)ethoxy]-5-methyl-6-(1,3-oxazol-2-yl)-4-oxothieno[2,3-d]pyrimidin-3-yl]cyclopropyl]acetate.
What is the SMILES notation for methyl 2-[1-[2-[2-(2-methoxyphenyl)ethoxy]-5-methyl-6-(1,3-oxazol-2-yl)-4-oxothieno[2,3-d]pyrimidin-3-yl]cyclopropyl]acetate?
The canonical SMILES for methyl 2-[1-[2-[2-(2-methoxyphenyl)ethoxy]-5-methyl-6-(1,3-oxazol-2-yl)-4-oxothieno[2,3-d]pyrimidin-3-yl]cyclopropyl]acetate is COC(=O)CC1(n2c(OCCc3ccccc3OC)nc3sc(-c4ncco4)c(C)c3c2=O)CC1.
What is the InChIKey of methyl 2-[1-[2-[2-(2-methoxyphenyl)ethoxy]-5-methyl-6-(1,3-oxazol-2-yl)-4-oxothieno[2,3-d]pyrimidin-3-yl]cyclopropyl]acetate?
The InChIKey is DDERGCBVYODAEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O6S/c1-15-19-22(35-20(15)21-26-11-13-33-21)27-24(34-12-8-16-6-4-5-7-17(16)31-2)28(23(19)30)25(9-10-25)14-18(29)32-3/h4-7,11,13H,8-10,12,14H2,1-3H3.
What are the key properties of methyl 2-[1-[2-[2-(2-methoxyphenyl)ethoxy]-5-methyl-6-(1,3-oxazol-2-yl)-4-oxothieno[2,3-d]pyrimidin-3-yl]cyclopropyl]acetate?
methyl 2-[1-[2-[2-(2-methoxyphenyl)ethoxy]-5-methyl-6-(1,3-oxazol-2-yl)-4-oxothieno[2,3-d]pyrimidin-3-yl]cyclopropyl]acetate has a molecular weight of 495.56 g/mol, XLogP of 4.10, 9 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-[2-[2-(2-methoxyphenyl)ethoxy]-5-methyl-6-(1,3-oxazol-2-yl)-4-oxothieno[2,3-d]pyrimidin-3-yl]cyclopropyl]acetate is sourced from PubChem (CID 137435743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).