2-[methyl-(5-methylthieno[2,3-d]pyrimidin-4-yl)amino]acetic acid

C10H11N3O2S — CID 122052220

IUPAC2-[methyl-(5-methylthieno[2,3-d]pyrimidin-4-yl)amino]acetic acid
SMILESCc1csc2ncnc(N(C)CC(=O)O)c12
InChIInChI=1S/C10H11N3O2S/c1-6-4-16-10-8(6)9(11-5-12-10)13(2)3-7(14)15/h4-5H,3H2,1-2H3,(H,14,15)
InChIKeyKKPNSEYLDLEOSC-UHFFFAOYSA-N
MW237.28 g/mol
LogP1.52
Rot. Bonds3

About 2-[methyl-(5-methylthieno[2,3-d]pyrimidin-4-yl)amino]acetic acid

2-[methyl-(5-methylthieno[2,3-d]pyrimidin-4-yl)amino]acetic acid (PubChem CID 122052220) has the molecular formula C10H11N3O2S and a molecular weight of 237.28 g/mol. Its IUPAC name is 2-[methyl-(5-methylthieno[2,3-d]pyrimidin-4-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[methyl-(5-methylthieno[2,3-d]pyrimidin-4-yl)amino]acetic acid
PubChem CID122052220
Molecular FormulaC10H11N3O2S
Molecular Weight237.28 g/mol
Exact Mass237.06
IUPAC Name2-[methyl-(5-methylthieno[2,3-d]pyrimidin-4-yl)amino]acetic acid
SMILESCc1csc2ncnc(N(C)CC(=O)O)c12
InChIInChI=1S/C10H11N3O2S/c1-6-4-16-10-8(6)9(11-5-12-10)13(2)3-7(14)15/h4-5H,3H2,1-2H3,(H,14,15)
InChIKeyKKPNSEYLDLEOSC-UHFFFAOYSA-N
XLogP1.52
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.28
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl-(5-methylthieno[2,3-d]pyrimidin-4-yl)amino]acetic acid?
The IUPAC name of 2-[methyl-(5-methylthieno[2,3-d]pyrimidin-4-yl)amino]acetic acid (CID 122052220) is 2-[methyl-(5-methylthieno[2,3-d]pyrimidin-4-yl)amino]acetic acid.
What is the SMILES notation for 2-[methyl-(5-methylthieno[2,3-d]pyrimidin-4-yl)amino]acetic acid?
The canonical SMILES for 2-[methyl-(5-methylthieno[2,3-d]pyrimidin-4-yl)amino]acetic acid is Cc1csc2ncnc(N(C)CC(=O)O)c12.
What is the InChIKey of 2-[methyl-(5-methylthieno[2,3-d]pyrimidin-4-yl)amino]acetic acid?
The InChIKey is KKPNSEYLDLEOSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2S/c1-6-4-16-10-8(6)9(11-5-12-10)13(2)3-7(14)15/h4-5H,3H2,1-2H3,(H,14,15).
What are the key properties of 2-[methyl-(5-methylthieno[2,3-d]pyrimidin-4-yl)amino]acetic acid?
2-[methyl-(5-methylthieno[2,3-d]pyrimidin-4-yl)amino]acetic acid has a molecular weight of 237.28 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-(5-methylthieno[2,3-d]pyrimidin-4-yl)amino]acetic acid is sourced from PubChem (CID 122052220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).