6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4-fluorophenyl)pyrimidin-4-amine

C15H13FN4O — CID 3233155

IUPAC6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4-fluorophenyl)pyrimidin-4-amine
SMILESCc1noc(C)c1-c1cc(Nc2ccc(F)cc2)ncn1
InChIInChI=1S/C15H13FN4O/c1-9-15(10(2)21-20-9)13-7-14(18-8-17-13)19-12-5-3-11(16)4-6-12/h3-8H,1-2H3,(H,17,18,19)
InChIKeyYYZQBYADSVSAPW-UHFFFAOYSA-N
MW284.29 g/mol
LogP3.63
Rot. Bonds3

About 6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4-fluorophenyl)pyrimidin-4-amine

6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4-fluorophenyl)pyrimidin-4-amine (PubChem CID 3233155) has the molecular formula C15H13FN4O and a molecular weight of 284.29 g/mol. Its IUPAC name is 6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4-fluorophenyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4-fluorophenyl)pyrimidin-4-amine
PubChem CID3233155
Molecular FormulaC15H13FN4O
Molecular Weight284.29 g/mol
Exact Mass284.11
IUPAC Name6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4-fluorophenyl)pyrimidin-4-amine
SMILESCc1noc(C)c1-c1cc(Nc2ccc(F)cc2)ncn1
InChIInChI=1S/C15H13FN4O/c1-9-15(10(2)21-20-9)13-7-14(18-8-17-13)19-12-5-3-11(16)4-6-12/h3-8H,1-2H3,(H,17,18,19)
InChIKeyYYZQBYADSVSAPW-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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Frequently Asked Questions

What is the IUPAC name of 6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4-fluorophenyl)pyrimidin-4-amine?
The IUPAC name of 6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4-fluorophenyl)pyrimidin-4-amine (CID 3233155) is 6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4-fluorophenyl)pyrimidin-4-amine.
What is the SMILES notation for 6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4-fluorophenyl)pyrimidin-4-amine?
The canonical SMILES for 6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4-fluorophenyl)pyrimidin-4-amine is Cc1noc(C)c1-c1cc(Nc2ccc(F)cc2)ncn1.
What is the InChIKey of 6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4-fluorophenyl)pyrimidin-4-amine?
The InChIKey is YYZQBYADSVSAPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN4O/c1-9-15(10(2)21-20-9)13-7-14(18-8-17-13)19-12-5-3-11(16)4-6-12/h3-8H,1-2H3,(H,17,18,19).
What are the key properties of 6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4-fluorophenyl)pyrimidin-4-amine?
6-(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 6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4-fluorophenyl)pyrimidin-4-amine is sourced from PubChem (CID 3233155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).