4-(6-methylthieno[2,3-d]pyrimidin-4-yl)morpholine-2-carboxylic acid

C12H13N3O3S — CID 63617713

IUPAC4-(6-methylthieno[2,3-d]pyrimidin-4-yl)morpholine-2-carboxylic acid
SMILESCc1cc2c(N3CCOC(C(=O)O)C3)ncnc2s1
InChIInChI=1S/C12H13N3O3S/c1-7-4-8-10(13-6-14-11(8)19-7)15-2-3-18-9(5-15)12(16)17/h4,6,9H,2-3,5H2,1H3,(H,16,17)
InChIKeyKXHITGXJLNXJQO-UHFFFAOYSA-N
MW279.32 g/mol
LogP1.29
Rot. Bonds2

About 4-(6-methylthieno[2,3-d]pyrimidin-4-yl)morpholine-2-carboxylic acid

4-(6-methylthieno[2,3-d]pyrimidin-4-yl)morpholine-2-carboxylic acid (PubChem CID 63617713) has the molecular formula C12H13N3O3S and a molecular weight of 279.32 g/mol. Its IUPAC name is 4-(6-methylthieno[2,3-d]pyrimidin-4-yl)morpholine-2-carboxylic acid.

Molecular Properties

Compound Name4-(6-methylthieno[2,3-d]pyrimidin-4-yl)morpholine-2-carboxylic acid
PubChem CID63617713
Molecular FormulaC12H13N3O3S
Molecular Weight279.32 g/mol
Exact Mass279.07
IUPAC Name4-(6-methylthieno[2,3-d]pyrimidin-4-yl)morpholine-2-carboxylic acid
SMILESCc1cc2c(N3CCOC(C(=O)O)C3)ncnc2s1
InChIInChI=1S/C12H13N3O3S/c1-7-4-8-10(13-6-14-11(8)19-7)15-2-3-18-9(5-15)12(16)17/h4,6,9H,2-3,5H2,1H3,(H,16,17)
InChIKeyKXHITGXJLNXJQO-UHFFFAOYSA-N
XLogP1.29
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.32
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(6-methylthieno[2,3-d]pyrimidin-4-yl)morpholine-2-carboxylic acid?
The IUPAC name of 4-(6-methylthieno[2,3-d]pyrimidin-4-yl)morpholine-2-carboxylic acid (CID 63617713) is 4-(6-methylthieno[2,3-d]pyrimidin-4-yl)morpholine-2-carboxylic acid.
What is the SMILES notation for 4-(6-methylthieno[2,3-d]pyrimidin-4-yl)morpholine-2-carboxylic acid?
The canonical SMILES for 4-(6-methylthieno[2,3-d]pyrimidin-4-yl)morpholine-2-carboxylic acid is Cc1cc2c(N3CCOC(C(=O)O)C3)ncnc2s1.
What is the InChIKey of 4-(6-methylthieno[2,3-d]pyrimidin-4-yl)morpholine-2-carboxylic acid?
The InChIKey is KXHITGXJLNXJQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O3S/c1-7-4-8-10(13-6-14-11(8)19-7)15-2-3-18-9(5-15)12(16)17/h4,6,9H,2-3,5H2,1H3,(H,16,17).
What are the key properties of 4-(6-methylthieno[2,3-d]pyrimidin-4-yl)morpholine-2-carboxylic acid?
4-(6-methylthieno[2,3-d]pyrimidin-4-yl)morpholine-2-carboxylic acid has a molecular weight of 279.32 g/mol, XLogP of 1.29, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-methylthieno[2,3-d]pyrimidin-4-yl)morpholine-2-carboxylic acid is sourced from PubChem (CID 63617713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).