4-methyl-6-(5-phenyl-1,2-oxazol-3-yl)-N-propylpyrimidin-2-amine

C17H18N4O — CID 16745460

IUPAC4-methyl-6-(5-phenyl-1,2-oxazol-3-yl)-N-propylpyrimidin-2-amine
SMILESCCCNc1nc(C)cc(-c2cc(-c3ccccc3)on2)n1
InChIInChI=1S/C17H18N4O/c1-3-9-18-17-19-12(2)10-14(20-17)15-11-16(22-21-15)13-7-5-4-6-8-13/h4-8,10-11H,3,9H2,1-2H3,(H,18,19,20)
InChIKeyVUXANKFSJBYESV-UHFFFAOYSA-N
MW294.36 g/mol
LogP3.93
Rot. Bonds5

About 4-methyl-6-(5-phenyl-1,2-oxazol-3-yl)-N-propylpyrimidin-2-amine

4-methyl-6-(5-phenyl-1,2-oxazol-3-yl)-N-propylpyrimidin-2-amine (PubChem CID 16745460) has the molecular formula C17H18N4O and a molecular weight of 294.36 g/mol. Its IUPAC name is 4-methyl-6-(5-phenyl-1,2-oxazol-3-yl)-N-propylpyrimidin-2-amine.

Molecular Properties

Compound Name4-methyl-6-(5-phenyl-1,2-oxazol-3-yl)-N-propylpyrimidin-2-amine
PubChem CID16745460
Molecular FormulaC17H18N4O
Molecular Weight294.36 g/mol
Exact Mass294.15
IUPAC Name4-methyl-6-(5-phenyl-1,2-oxazol-3-yl)-N-propylpyrimidin-2-amine
SMILESCCCNc1nc(C)cc(-c2cc(-c3ccccc3)on2)n1
InChIInChI=1S/C17H18N4O/c1-3-9-18-17-19-12(2)10-14(20-17)15-11-16(22-21-15)13-7-5-4-6-8-13/h4-8,10-11H,3,9H2,1-2H3,(H,18,19,20)
InChIKeyVUXANKFSJBYESV-UHFFFAOYSA-N
XLogP3.93
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-(5-phenyl-1,2-oxazol-3-yl)-N-propylpyrimidin-2-amine?
The IUPAC name of 4-methyl-6-(5-phenyl-1,2-oxazol-3-yl)-N-propylpyrimidin-2-amine (CID 16745460) is 4-methyl-6-(5-phenyl-1,2-oxazol-3-yl)-N-propylpyrimidin-2-amine.
What is the SMILES notation for 4-methyl-6-(5-phenyl-1,2-oxazol-3-yl)-N-propylpyrimidin-2-amine?
The canonical SMILES for 4-methyl-6-(5-phenyl-1,2-oxazol-3-yl)-N-propylpyrimidin-2-amine is CCCNc1nc(C)cc(-c2cc(-c3ccccc3)on2)n1.
What is the InChIKey of 4-methyl-6-(5-phenyl-1,2-oxazol-3-yl)-N-propylpyrimidin-2-amine?
The InChIKey is VUXANKFSJBYESV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O/c1-3-9-18-17-19-12(2)10-14(20-17)15-11-16(22-21-15)13-7-5-4-6-8-13/h4-8,10-11H,3,9H2,1-2H3,(H,18,19,20).
What are the key properties of 4-methyl-6-(5-phenyl-1,2-oxazol-3-yl)-N-propylpyrimidin-2-amine?
4-methyl-6-(5-phenyl-1,2-oxazol-3-yl)-N-propylpyrimidin-2-amine has a molecular weight of 294.36 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-(5-phenyl-1,2-oxazol-3-yl)-N-propylpyrimidin-2-amine is sourced from PubChem (CID 16745460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).