pyrimidin-2-amine;terephthalic acid

C12H11N3O4 — CID 57466654

IUPACpyrimidin-2-amine;terephthalic acid
SMILESNc1ncccn1.O=C(O)c1ccc(C(=O)O)cc1
InChIInChI=1S/C8H6O4.C4H5N3/c9-7(10)5-1-2-6(4-3-5)8(11)12;5-4-6-2-1-3-7-4/h1-4H,(H,9,10)(H,11,12);1-3H,(H2,5,6,7)
InChIKeyOUZKHGAJKNRXCV-UHFFFAOYSA-N
MW261.24 g/mol
LogP1.14
Rot. Bonds2

About pyrimidin-2-amine;terephthalic acid

pyrimidin-2-amine;terephthalic acid (PubChem CID 57466654) has the molecular formula C12H11N3O4 and a molecular weight of 261.24 g/mol. Its IUPAC name is pyrimidin-2-amine;terephthalic acid.

Molecular Properties

Compound Namepyrimidin-2-amine;terephthalic acid
PubChem CID57466654
Molecular FormulaC12H11N3O4
Molecular Weight261.24 g/mol
Exact Mass261.07
IUPAC Namepyrimidin-2-amine;terephthalic acid
SMILESNc1ncccn1.O=C(O)c1ccc(C(=O)O)cc1
InChIInChI=1S/C8H6O4.C4H5N3/c9-7(10)5-1-2-6(4-3-5)8(11)12;5-4-6-2-1-3-7-4/h1-4H,(H,9,10)(H,11,12);1-3H,(H2,5,6,7)
InChIKeyOUZKHGAJKNRXCV-UHFFFAOYSA-N
XLogP1.14
TPSA126.40 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.24
LogP ≤ 51.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of pyrimidin-2-amine;terephthalic acid?
The IUPAC name of pyrimidin-2-amine;terephthalic acid (CID 57466654) is pyrimidin-2-amine;terephthalic acid.
What is the SMILES notation for pyrimidin-2-amine;terephthalic acid?
The canonical SMILES for pyrimidin-2-amine;terephthalic acid is Nc1ncccn1.O=C(O)c1ccc(C(=O)O)cc1.
What is the InChIKey of pyrimidin-2-amine;terephthalic acid?
The InChIKey is OUZKHGAJKNRXCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6O4.C4H5N3/c9-7(10)5-1-2-6(4-3-5)8(11)12;5-4-6-2-1-3-7-4/h1-4H,(H,9,10)(H,11,12);1-3H,(H2,5,6,7).
What are the key properties of pyrimidin-2-amine;terephthalic acid?
pyrimidin-2-amine;terephthalic acid has a molecular weight of 261.24 g/mol, XLogP of 1.14, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for pyrimidin-2-amine;terephthalic acid is sourced from PubChem (CID 57466654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).