2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-phenylpyrimidin-4-amine

C15H14N4O — CID 117088076

IUPAC2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-phenylpyrimidin-4-amine
SMILESCc1noc(C)c1-c1nccc(Nc2ccccc2)n1
InChIInChI=1S/C15H14N4O/c1-10-14(11(2)20-19-10)15-16-9-8-13(18-15)17-12-6-4-3-5-7-12/h3-9H,1-2H3,(H,16,17,18)
InChIKeyOKFLPEHEITWURH-UHFFFAOYSA-N
MW266.30 g/mol
LogP3.49
Rot. Bonds3

About 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-phenylpyrimidin-4-amine

2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-phenylpyrimidin-4-amine (PubChem CID 117088076) has the molecular formula C15H14N4O and a molecular weight of 266.30 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-phenylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-phenylpyrimidin-4-amine
PubChem CID117088076
Molecular FormulaC15H14N4O
Molecular Weight266.30 g/mol
Exact Mass266.12
IUPAC Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-phenylpyrimidin-4-amine
SMILESCc1noc(C)c1-c1nccc(Nc2ccccc2)n1
InChIInChI=1S/C15H14N4O/c1-10-14(11(2)20-19-10)15-16-9-8-13(18-15)17-12-6-4-3-5-7-12/h3-9H,1-2H3,(H,16,17,18)
InChIKeyOKFLPEHEITWURH-UHFFFAOYSA-N
XLogP3.49
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-phenylpyrimidin-4-amine?
The IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-phenylpyrimidin-4-amine (CID 117088076) is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-phenylpyrimidin-4-amine.
What is the SMILES notation for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-phenylpyrimidin-4-amine?
The canonical SMILES for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-phenylpyrimidin-4-amine is Cc1noc(C)c1-c1nccc(Nc2ccccc2)n1.
What is the InChIKey of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-phenylpyrimidin-4-amine?
The InChIKey is OKFLPEHEITWURH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O/c1-10-14(11(2)20-19-10)15-16-9-8-13(18-15)17-12-6-4-3-5-7-12/h3-9H,1-2H3,(H,16,17,18).
What are the key properties of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-phenylpyrimidin-4-amine?
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-phenylpyrimidin-4-amine has a molecular weight of 266.30 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-phenylpyrimidin-4-amine is sourced from PubChem (CID 117088076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).