4-[methyl-(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]oxolane-3-carboxylic acid

C13H15N3O3S — CID 102686010

IUPAC4-[methyl-(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]oxolane-3-carboxylic acid
SMILESCc1csc2c(N(C)C3COCC3C(=O)O)ncnc12
InChIInChI=1S/C13H15N3O3S/c1-7-5-20-11-10(7)14-6-15-12(11)16(2)9-4-19-3-8(9)13(17)18/h5-6,8-9H,3-4H2,1-2H3,(H,17,18)
InChIKeyUROVMZMUYSUULQ-UHFFFAOYSA-N
MW293.35 g/mol
LogP1.54
Rot. Bonds3

About 4-[methyl-(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]oxolane-3-carboxylic acid

4-[methyl-(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]oxolane-3-carboxylic acid (PubChem CID 102686010) has the molecular formula C13H15N3O3S and a molecular weight of 293.35 g/mol. Its IUPAC name is 4-[methyl-(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[methyl-(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]oxolane-3-carboxylic acid
PubChem CID102686010
Molecular FormulaC13H15N3O3S
Molecular Weight293.35 g/mol
Exact Mass293.08
IUPAC Name4-[methyl-(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]oxolane-3-carboxylic acid
SMILESCc1csc2c(N(C)C3COCC3C(=O)O)ncnc12
InChIInChI=1S/C13H15N3O3S/c1-7-5-20-11-10(7)14-6-15-12(11)16(2)9-4-19-3-8(9)13(17)18/h5-6,8-9H,3-4H2,1-2H3,(H,17,18)
InChIKeyUROVMZMUYSUULQ-UHFFFAOYSA-N
XLogP1.54
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[methyl-(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[methyl-(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]oxolane-3-carboxylic acid (CID 102686010) is 4-[methyl-(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[methyl-(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[methyl-(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]oxolane-3-carboxylic acid is Cc1csc2c(N(C)C3COCC3C(=O)O)ncnc12.
What is the InChIKey of 4-[methyl-(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]oxolane-3-carboxylic acid?
The InChIKey is UROVMZMUYSUULQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3S/c1-7-5-20-11-10(7)14-6-15-12(11)16(2)9-4-19-3-8(9)13(17)18/h5-6,8-9H,3-4H2,1-2H3,(H,17,18).
What are the key properties of 4-[methyl-(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]oxolane-3-carboxylic acid?
4-[methyl-(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]oxolane-3-carboxylic acid has a molecular weight of 293.35 g/mol, XLogP of 1.54, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl-(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 102686010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).