1-[[4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carbonyl]amino]cyclopentane-1-carboxylic acid

C17H21N3O5S — CID 119176489

IUPAC1-[[4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carbonyl]amino]cyclopentane-1-carboxylic acid
SMILESCOCc1nc(OC)c2c(C)c(C(=O)NC3(C(=O)O)CCCC3)sc2n1
InChIInChI=1S/C17H21N3O5S/c1-9-11-14(25-3)18-10(8-24-2)19-15(11)26-12(9)13(21)20-17(16(22)23)6-4-5-7-17/h4-8H2,1-3H3,(H,20,21)(H,22,23)
InChIKeyZPRPKNZQUACGNV-UHFFFAOYSA-N
MW379.44 g/mol
LogP2.28
Rot. Bonds6

About 1-[[4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carbonyl]amino]cyclopentane-1-carboxylic acid

1-[[4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carbonyl]amino]cyclopentane-1-carboxylic acid (PubChem CID 119176489) has the molecular formula C17H21N3O5S and a molecular weight of 379.44 g/mol. Its IUPAC name is 1-[[4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carbonyl]amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carbonyl]amino]cyclopentane-1-carboxylic acid
PubChem CID119176489
Molecular FormulaC17H21N3O5S
Molecular Weight379.44 g/mol
Exact Mass379.12
IUPAC Name1-[[4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carbonyl]amino]cyclopentane-1-carboxylic acid
SMILESCOCc1nc(OC)c2c(C)c(C(=O)NC3(C(=O)O)CCCC3)sc2n1
InChIInChI=1S/C17H21N3O5S/c1-9-11-14(25-3)18-10(8-24-2)19-15(11)26-12(9)13(21)20-17(16(22)23)6-4-5-7-17/h4-8H2,1-3H3,(H,20,21)(H,22,23)
InChIKeyZPRPKNZQUACGNV-UHFFFAOYSA-N
XLogP2.28
TPSA110.64 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.44
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[[4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carbonyl]amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[[4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carbonyl]amino]cyclopentane-1-carboxylic acid (CID 119176489) is 1-[[4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carbonyl]amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[[4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carbonyl]amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[[4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carbonyl]amino]cyclopentane-1-carboxylic acid is COCc1nc(OC)c2c(C)c(C(=O)NC3(C(=O)O)CCCC3)sc2n1.
What is the InChIKey of 1-[[4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carbonyl]amino]cyclopentane-1-carboxylic acid?
The InChIKey is ZPRPKNZQUACGNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O5S/c1-9-11-14(25-3)18-10(8-24-2)19-15(11)26-12(9)13(21)20-17(16(22)23)6-4-5-7-17/h4-8H2,1-3H3,(H,20,21)(H,22,23).
What are the key properties of 1-[[4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carbonyl]amino]cyclopentane-1-carboxylic acid?
1-[[4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carbonyl]amino]cyclopentane-1-carboxylic acid has a molecular weight of 379.44 g/mol, XLogP of 2.28, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carbonyl]amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 119176489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).