4-[6-(1,2-oxazol-3-yl)-2-pyridinyl]pyrimidin-2-amine

C12H9N5O — CID 170573377

IUPAC4-[6-(1,2-oxazol-3-yl)-2-pyridinyl]pyrimidin-2-amine
SMILESNc1nccc(-c2cccc(-c3ccon3)n2)n1
InChIInChI=1S/C12H9N5O/c13-12-14-6-4-10(16-12)8-2-1-3-9(15-8)11-5-7-18-17-11/h1-7H,(H2,13,14,16)
InChIKeyNJTHOWSZLZRITK-UHFFFAOYSA-N
MW239.24 g/mol
LogP1.78
Rot. Bonds2

About 4-[6-(1,2-oxazol-3-yl)-2-pyridinyl]pyrimidin-2-amine

4-[6-(1,2-oxazol-3-yl)-2-pyridinyl]pyrimidin-2-amine (PubChem CID 170573377) has the molecular formula C12H9N5O and a molecular weight of 239.24 g/mol. Its IUPAC name is 4-[6-(1,2-oxazol-3-yl)-2-pyridinyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-[6-(1,2-oxazol-3-yl)-2-pyridinyl]pyrimidin-2-amine
PubChem CID170573377
Molecular FormulaC12H9N5O
Molecular Weight239.24 g/mol
Exact Mass239.08
IUPAC Name4-[6-(1,2-oxazol-3-yl)-2-pyridinyl]pyrimidin-2-amine
SMILESNc1nccc(-c2cccc(-c3ccon3)n2)n1
InChIInChI=1S/C12H9N5O/c13-12-14-6-4-10(16-12)8-2-1-3-9(15-8)11-5-7-18-17-11/h1-7H,(H2,13,14,16)
InChIKeyNJTHOWSZLZRITK-UHFFFAOYSA-N
XLogP1.78
TPSA90.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.24
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[6-(1,2-oxazol-3-yl)-2-pyridinyl]pyrimidin-2-amine?
The IUPAC name of 4-[6-(1,2-oxazol-3-yl)-2-pyridinyl]pyrimidin-2-amine (CID 170573377) is 4-[6-(1,2-oxazol-3-yl)-2-pyridinyl]pyrimidin-2-amine.
What is the SMILES notation for 4-[6-(1,2-oxazol-3-yl)-2-pyridinyl]pyrimidin-2-amine?
The canonical SMILES for 4-[6-(1,2-oxazol-3-yl)-2-pyridinyl]pyrimidin-2-amine is Nc1nccc(-c2cccc(-c3ccon3)n2)n1.
What is the InChIKey of 4-[6-(1,2-oxazol-3-yl)-2-pyridinyl]pyrimidin-2-amine?
The InChIKey is NJTHOWSZLZRITK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N5O/c13-12-14-6-4-10(16-12)8-2-1-3-9(15-8)11-5-7-18-17-11/h1-7H,(H2,13,14,16).
What are the key properties of 4-[6-(1,2-oxazol-3-yl)-2-pyridinyl]pyrimidin-2-amine?
4-[6-(1,2-oxazol-3-yl)-2-pyridinyl]pyrimidin-2-amine has a molecular weight of 239.24 g/mol, XLogP of 1.78, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(1,2-oxazol-3-yl)-2-pyridinyl]pyrimidin-2-amine is sourced from PubChem (CID 170573377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).