6-(4-methoxyphenyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine

C15H19N3O — CID 80974618

IUPAC6-(4-methoxyphenyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine
SMILESCOc1ccc(-c2nc(C(C)C)nc(N)c2C)cc1
InChIInChI=1S/C15H19N3O/c1-9(2)15-17-13(10(3)14(16)18-15)11-5-7-12(19-4)8-6-11/h5-9H,1-4H3,(H2,16,17,18)
InChIKeyXWRLWBSJQFKRSV-UHFFFAOYSA-N
MW257.34 g/mol
LogP3.17
Rot. Bonds3

About 6-(4-methoxyphenyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine

6-(4-methoxyphenyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine (PubChem CID 80974618) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 6-(4-methoxyphenyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(4-methoxyphenyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine
PubChem CID80974618
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name6-(4-methoxyphenyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine
SMILESCOc1ccc(-c2nc(C(C)C)nc(N)c2C)cc1
InChIInChI=1S/C15H19N3O/c1-9(2)15-17-13(10(3)14(16)18-15)11-5-7-12(19-4)8-6-11/h5-9H,1-4H3,(H2,16,17,18)
InChIKeyXWRLWBSJQFKRSV-UHFFFAOYSA-N
XLogP3.17
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(4-methoxyphenyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 6-(4-methoxyphenyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine (CID 80974618) is 6-(4-methoxyphenyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 6-(4-methoxyphenyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 6-(4-methoxyphenyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine is COc1ccc(-c2nc(C(C)C)nc(N)c2C)cc1.
What is the InChIKey of 6-(4-methoxyphenyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine?
The InChIKey is XWRLWBSJQFKRSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-9(2)15-17-13(10(3)14(16)18-15)11-5-7-12(19-4)8-6-11/h5-9H,1-4H3,(H2,16,17,18).
What are the key properties of 6-(4-methoxyphenyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine?
6-(4-methoxyphenyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine has a molecular weight of 257.34 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methoxyphenyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 80974618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).