2-[tert-butyl-(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]acetic acid

C13H17N3O2S — CID 79269626

IUPAC2-[tert-butyl-(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]acetic acid
SMILESCc1cc2c(N(CC(=O)O)C(C)(C)C)ncnc2s1
InChIInChI=1S/C13H17N3O2S/c1-8-5-9-11(14-7-15-12(9)19-8)16(6-10(17)18)13(2,3)4/h5,7H,6H2,1-4H3,(H,17,18)
InChIKeyXSGCPJFCXPOMHD-UHFFFAOYSA-N
MW279.37 g/mol
LogP2.69
Rot. Bonds3

About 2-[tert-butyl-(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]acetic acid

2-[tert-butyl-(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]acetic acid (PubChem CID 79269626) has the molecular formula C13H17N3O2S and a molecular weight of 279.37 g/mol. Its IUPAC name is 2-[tert-butyl-(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[tert-butyl-(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]acetic acid
PubChem CID79269626
Molecular FormulaC13H17N3O2S
Molecular Weight279.37 g/mol
Exact Mass279.10
IUPAC Name2-[tert-butyl-(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]acetic acid
SMILESCc1cc2c(N(CC(=O)O)C(C)(C)C)ncnc2s1
InChIInChI=1S/C13H17N3O2S/c1-8-5-9-11(14-7-15-12(9)19-8)16(6-10(17)18)13(2,3)4/h5,7H,6H2,1-4H3,(H,17,18)
InChIKeyXSGCPJFCXPOMHD-UHFFFAOYSA-N
XLogP2.69
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.37
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[tert-butyl-(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]acetic acid?
The IUPAC name of 2-[tert-butyl-(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]acetic acid (CID 79269626) is 2-[tert-butyl-(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]acetic acid.
What is the SMILES notation for 2-[tert-butyl-(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]acetic acid?
The canonical SMILES for 2-[tert-butyl-(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]acetic acid is Cc1cc2c(N(CC(=O)O)C(C)(C)C)ncnc2s1.
What is the InChIKey of 2-[tert-butyl-(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]acetic acid?
The InChIKey is XSGCPJFCXPOMHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2S/c1-8-5-9-11(14-7-15-12(9)19-8)16(6-10(17)18)13(2,3)4/h5,7H,6H2,1-4H3,(H,17,18).
What are the key properties of 2-[tert-butyl-(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]acetic acid?
2-[tert-butyl-(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]acetic acid has a molecular weight of 279.37 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butyl-(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]acetic acid is sourced from PubChem (CID 79269626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).