methyl 2-[1-(2-methylthieno[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]acetate

C14H17N3O2S — CID 72839733

IUPACmethyl 2-[1-(2-methylthieno[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]acetate
SMILESCOC(=O)CC1CCN(c2nc(C)nc3sccc23)C1
InChIInChI=1S/C14H17N3O2S/c1-9-15-13(11-4-6-20-14(11)16-9)17-5-3-10(8-17)7-12(18)19-2/h4,6,10H,3,5,7-8H2,1-2H3
InChIKeySMOTUZNFUCPZSE-UHFFFAOYSA-N
MW291.38 g/mol
LogP2.39
Rot. Bonds3

About methyl 2-[1-(2-methylthieno[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]acetate

methyl 2-[1-(2-methylthieno[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]acetate (PubChem CID 72839733) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is methyl 2-[1-(2-methylthieno[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[1-(2-methylthieno[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]acetate
PubChem CID72839733
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC Namemethyl 2-[1-(2-methylthieno[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]acetate
SMILESCOC(=O)CC1CCN(c2nc(C)nc3sccc23)C1
InChIInChI=1S/C14H17N3O2S/c1-9-15-13(11-4-6-20-14(11)16-9)17-5-3-10(8-17)7-12(18)19-2/h4,6,10H,3,5,7-8H2,1-2H3
InChIKeySMOTUZNFUCPZSE-UHFFFAOYSA-N
XLogP2.39
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 2-[1-(2-methylthieno[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]acetate with MolForge

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Related Compounds

N-ethyl-4-[3-(methoxymethyl)pyrrolidin-1-yl]thieno[2,3-d]pyrimidin-2-amine
CID 103328306
1-(2-methylthieno[2,3-d]pyrimidin-4-yl)azepan-4-amine
CID 56897575
4-[3-(methoxymethyl)pyrrolidin-1-yl]-N-propylthieno[2,3-d]pyrimidin-2-amine
CID 103328302
4-(azepan-1-yl)-2-methylthieno[2,3-d]pyrimidine
CID 2238996
N-methyl-4-(3-propylpyrrolidin-1-yl)thieno[2,3-d]pyrimidin-2-amine
CID 103329872
methyl 2-[1-(2-ethylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-2-hydroxyacetate
CID 133423645
2-methyl-4-(4-thiomorpholin-4-ylpiperidin-1-yl)thieno[2,3-d]pyrimidine
CID 72928054
2-[1-[2-[(2S)-2-methylazetidin-1-yl]thieno[2,3-d]pyrimidin-4-yl]azetidin-3-yl]acetic acid
CID 156555239
1-[(3S)-1-[7-(3,4-dimethoxyphenyl)-2-methylthieno[3,4-d]pyrimidin-4-yl]pyrrolidin-3-yl]propan-2-one
CID 157401315
4-cyclopropyl-N-[[(2S)-1-(2-methylthieno[2,3-d]pyrimidin-4-yl)pyrrolidin-2-yl]methyl]butanamide
CID 166340213
4-[3-(bromomethyl)pyrrolidin-1-yl]thieno[2,3-d]pyrimidine
CID 80679387
1-(4-propan-2-ylphenyl)-3-(1-thieno[2,3-d]pyrimidin-4-ylpyrrolidin-3-yl)propan-2-one
CID 160662736

Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-(2-methylthieno[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]acetate?
The IUPAC name of methyl 2-[1-(2-methylthieno[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]acetate (CID 72839733) is methyl 2-[1-(2-methylthieno[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]acetate.
What is the SMILES notation for methyl 2-[1-(2-methylthieno[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]acetate?
The canonical SMILES for methyl 2-[1-(2-methylthieno[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]acetate is COC(=O)CC1CCN(c2nc(C)nc3sccc23)C1.
What is the InChIKey of methyl 2-[1-(2-methylthieno[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]acetate?
The InChIKey is SMOTUZNFUCPZSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c1-9-15-13(11-4-6-20-14(11)16-9)17-5-3-10(8-17)7-12(18)19-2/h4,6,10H,3,5,7-8H2,1-2H3.
What are the key properties of methyl 2-[1-(2-methylthieno[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]acetate?
methyl 2-[1-(2-methylthieno[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]acetate has a molecular weight of 291.38 g/mol, XLogP of 2.39, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-(2-methylthieno[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]acetate is sourced from PubChem (CID 72839733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).