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

C15H13FN4O — CID 3234400

IUPAC2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4-fluorophenyl)pyrimidin-4-amine
SMILESCc1noc(C)c1-c1nccc(Nc2ccc(F)cc2)n1
InChIInChI=1S/C15H13FN4O/c1-9-14(10(2)21-20-9)15-17-8-7-13(19-15)18-12-5-3-11(16)4-6-12/h3-8H,1-2H3,(H,17,18,19)
InChIKeyMIGNYTXEQQITTJ-UHFFFAOYSA-N
MW284.29 g/mol
LogP3.63
Rot. Bonds3

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

2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4-fluorophenyl)pyrimidin-4-amine (PubChem CID 3234400) has the molecular formula C15H13FN4O and a molecular weight of 284.29 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4-fluorophenyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4-fluorophenyl)pyrimidin-4-amine
PubChem CID3234400
Molecular FormulaC15H13FN4O
Molecular Weight284.29 g/mol
Exact Mass284.11
IUPAC Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4-fluorophenyl)pyrimidin-4-amine
SMILESCc1noc(C)c1-c1nccc(Nc2ccc(F)cc2)n1
InChIInChI=1S/C15H13FN4O/c1-9-14(10(2)21-20-9)15-17-8-7-13(19-15)18-12-5-3-11(16)4-6-12/h3-8H,1-2H3,(H,17,18,19)
InChIKeyMIGNYTXEQQITTJ-UHFFFAOYSA-N
XLogP3.63
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.29
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(5-Methyl-3-phenylisoxazol-4-yl)pyrimidin-2-amine
CID 2745721
N-[(E)-(3,5-dimethyl-1,2-oxazol-4-yl)methylideneamino]pyridin-2-amine
CID 9684257
3,5-dimethyl-N-(pyridin-2-yl)-1,2-oxazole-4-carboxamide
CID 1244041
N-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)pyrimidin-2-yl]acetamide
CID 2745748
6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-piperidin-4-ylpyrimidin-4-amine
CID 3232687
6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4-fluorophenyl)pyrimidin-4-amine
CID 3233155
6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
CID 3233314
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylpyrimidin-4-amine
CID 3233386
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(5-methylpyrazin-2-yl)methyl]quinazolin-4-amine
CID 3233783
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2-methoxyphenyl)methyl]pyrimidin-4-amine
CID 3233895
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylquinazolin-4-amine
CID 3234198
N-cyclopropyl-2-(3,5-dimethyl-1,2-oxazol-4-yl)quinazolin-4-amine
CID 3234558

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4-fluorophenyl)pyrimidin-4-amine?
The IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4-fluorophenyl)pyrimidin-4-amine (CID 3234400) is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4-fluorophenyl)pyrimidin-4-amine.
What is the SMILES notation for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4-fluorophenyl)pyrimidin-4-amine?
The canonical SMILES for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4-fluorophenyl)pyrimidin-4-amine is Cc1noc(C)c1-c1nccc(Nc2ccc(F)cc2)n1.
What is the InChIKey of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4-fluorophenyl)pyrimidin-4-amine?
The InChIKey is MIGNYTXEQQITTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN4O/c1-9-14(10(2)21-20-9)15-17-8-7-13(19-15)18-12-5-3-11(16)4-6-12/h3-8H,1-2H3,(H,17,18,19).
What are the key properties of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4-fluorophenyl)pyrimidin-4-amine?
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4-fluorophenyl)pyrimidin-4-amine has a molecular weight of 284.29 g/mol, XLogP of 3.63, 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-(4-fluorophenyl)pyrimidin-4-amine is sourced from PubChem (CID 3234400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).