ethyl 4-amino-2-[(2-cyclopentylacetyl)oxymethyl]-5-methylthieno[2,3-d]pyrimidine-6-carboxylate

C18H23N3O4S — CID 55458663

IUPACethyl 4-amino-2-[(2-cyclopentylacetyl)oxymethyl]-5-methylthieno[2,3-d]pyrimidine-6-carboxylate
SMILESCCOC(=O)c1sc2nc(COC(=O)CC3CCCC3)nc(N)c2c1C
InChIInChI=1S/C18H23N3O4S/c1-3-24-18(23)15-10(2)14-16(19)20-12(21-17(14)26-15)9-25-13(22)8-11-6-4-5-7-11/h11H,3-9H2,1-2H3,(H2,19,20,21)
InChIKeyALXDKFHVCMEQSN-UHFFFAOYSA-N
MW377.47 g/mol
LogP3.38
Rot. Bonds6

About ethyl 4-amino-2-[(2-cyclopentylacetyl)oxymethyl]-5-methylthieno[2,3-d]pyrimidine-6-carboxylate

ethyl 4-amino-2-[(2-cyclopentylacetyl)oxymethyl]-5-methylthieno[2,3-d]pyrimidine-6-carboxylate (PubChem CID 55458663) has the molecular formula C18H23N3O4S and a molecular weight of 377.47 g/mol. Its IUPAC name is ethyl 4-amino-2-[(2-cyclopentylacetyl)oxymethyl]-5-methylthieno[2,3-d]pyrimidine-6-carboxylate.

Molecular Properties

Compound Nameethyl 4-amino-2-[(2-cyclopentylacetyl)oxymethyl]-5-methylthieno[2,3-d]pyrimidine-6-carboxylate
PubChem CID55458663
Molecular FormulaC18H23N3O4S
Molecular Weight377.47 g/mol
Exact Mass377.14
IUPAC Nameethyl 4-amino-2-[(2-cyclopentylacetyl)oxymethyl]-5-methylthieno[2,3-d]pyrimidine-6-carboxylate
SMILESCCOC(=O)c1sc2nc(COC(=O)CC3CCCC3)nc(N)c2c1C
InChIInChI=1S/C18H23N3O4S/c1-3-24-18(23)15-10(2)14-16(19)20-12(21-17(14)26-15)9-25-13(22)8-11-6-4-5-7-11/h11H,3-9H2,1-2H3,(H2,19,20,21)
InChIKeyALXDKFHVCMEQSN-UHFFFAOYSA-N
XLogP3.38
TPSA104.40 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

ethyl 4-amino-2-[[2-(3,5-dimethylphenoxy)acetyl]oxymethyl]-5-methylthieno[2,3-d]pyrimidine-6-carboxylate
CID 24557460
ethyl 4-amino-5-methyl-2-[(2-naphthalen-1-ylacetyl)oxymethyl]thieno[2,3-d]pyrimidine-6-carboxylate
CID 25315502
ethyl 4-amino-2-[[2-(3,4-dimethylphenoxy)acetyl]oxymethyl]-5-methylthieno[2,3-d]pyrimidine-6-carboxylate
CID 24557476
ethyl 4-amino-2-(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonyloxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxylate
CID 46658129
ethyl 4-amino-2-[[2-(2-fluorophenoxy)acetyl]oxymethyl]-5-methylthieno[2,3-d]pyrimidine-6-carboxylate
CID 24557545
ethyl 4-amino-5-methyl-2-[3-(2-methylphenoxy)propanoyloxymethyl]thieno[2,3-d]pyrimidine-6-carboxylate
CID 24557540
ethyl 4-amino-5-methyl-2-[[4-(2-oxopyrrolidin-1-yl)benzoyl]oxymethyl]thieno[2,3-d]pyrimidine-6-carboxylate
CID 24557971
ethyl 4-amino-2-[2-(4-bromophenoxy)propanoyloxymethyl]-5-methylthieno[2,3-d]pyrimidine-6-carboxylate
CID 55458437
ethyl 4-amino-2-[(6-methoxy-2-methylquinoline-3-carbonyl)oxymethyl]-5-methylthieno[2,3-d]pyrimidine-6-carboxylate
CID 46687431
ethyl 4-amino-2-[[2-(2-hydroxyethylamino)benzoyl]oxymethyl]-5-methylthieno[2,3-d]pyrimidine-6-carboxylate
CID 55458567
ethyl 4-amino-2-[2-(3-chlorophenoxy)propanoyloxymethyl]-5-methylthieno[2,3-d]pyrimidine-6-carboxylate
CID 46658665
ethyl 4-amino-2-[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]oxymethyl]-5-methylthieno[2,3-d]pyrimidine-6-carboxylate
CID 41479155

Frequently Asked Questions

What is the IUPAC name of ethyl 4-amino-2-[(2-cyclopentylacetyl)oxymethyl]-5-methylthieno[2,3-d]pyrimidine-6-carboxylate?
The IUPAC name of ethyl 4-amino-2-[(2-cyclopentylacetyl)oxymethyl]-5-methylthieno[2,3-d]pyrimidine-6-carboxylate (CID 55458663) is ethyl 4-amino-2-[(2-cyclopentylacetyl)oxymethyl]-5-methylthieno[2,3-d]pyrimidine-6-carboxylate.
What is the SMILES notation for ethyl 4-amino-2-[(2-cyclopentylacetyl)oxymethyl]-5-methylthieno[2,3-d]pyrimidine-6-carboxylate?
The canonical SMILES for ethyl 4-amino-2-[(2-cyclopentylacetyl)oxymethyl]-5-methylthieno[2,3-d]pyrimidine-6-carboxylate is CCOC(=O)c1sc2nc(COC(=O)CC3CCCC3)nc(N)c2c1C.
What is the InChIKey of ethyl 4-amino-2-[(2-cyclopentylacetyl)oxymethyl]-5-methylthieno[2,3-d]pyrimidine-6-carboxylate?
The InChIKey is ALXDKFHVCMEQSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O4S/c1-3-24-18(23)15-10(2)14-16(19)20-12(21-17(14)26-15)9-25-13(22)8-11-6-4-5-7-11/h11H,3-9H2,1-2H3,(H2,19,20,21).
What are the key properties of ethyl 4-amino-2-[(2-cyclopentylacetyl)oxymethyl]-5-methylthieno[2,3-d]pyrimidine-6-carboxylate?
ethyl 4-amino-2-[(2-cyclopentylacetyl)oxymethyl]-5-methylthieno[2,3-d]pyrimidine-6-carboxylate has a molecular weight of 377.47 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-amino-2-[(2-cyclopentylacetyl)oxymethyl]-5-methylthieno[2,3-d]pyrimidine-6-carboxylate is sourced from PubChem (CID 55458663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).