5-(3-methoxyphenyl)-4-phenylpyrimidin-2-amine

C17H15N3O — CID 134140823

IUPAC5-(3-methoxyphenyl)-4-phenylpyrimidin-2-amine
SMILESCOc1cccc(-c2cnc(N)nc2-c2ccccc2)c1
InChIInChI=1S/C17H15N3O/c1-21-14-9-5-8-13(10-14)15-11-19-17(18)20-16(15)12-6-3-2-4-7-12/h2-11H,1H3,(H2,18,19,20)
InChIKeyCHYKMYJLTKUFAB-UHFFFAOYSA-N
MW277.33 g/mol
LogP3.40
Rot. Bonds3

About 5-(3-methoxyphenyl)-4-phenylpyrimidin-2-amine

5-(3-methoxyphenyl)-4-phenylpyrimidin-2-amine (PubChem CID 134140823) has the molecular formula C17H15N3O and a molecular weight of 277.33 g/mol. Its IUPAC name is 5-(3-methoxyphenyl)-4-phenylpyrimidin-2-amine.

Molecular Properties

Compound Name5-(3-methoxyphenyl)-4-phenylpyrimidin-2-amine
PubChem CID134140823
Molecular FormulaC17H15N3O
Molecular Weight277.33 g/mol
Exact Mass277.12
IUPAC Name5-(3-methoxyphenyl)-4-phenylpyrimidin-2-amine
SMILESCOc1cccc(-c2cnc(N)nc2-c2ccccc2)c1
InChIInChI=1S/C17H15N3O/c1-21-14-9-5-8-13(10-14)15-11-19-17(18)20-16(15)12-6-3-2-4-7-12/h2-11H,1H3,(H2,18,19,20)
InChIKeyCHYKMYJLTKUFAB-UHFFFAOYSA-N
XLogP3.40
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3-methoxyphenyl)-4-phenylpyrimidin-2-amine?
The IUPAC name of 5-(3-methoxyphenyl)-4-phenylpyrimidin-2-amine (CID 134140823) is 5-(3-methoxyphenyl)-4-phenylpyrimidin-2-amine.
What is the SMILES notation for 5-(3-methoxyphenyl)-4-phenylpyrimidin-2-amine?
The canonical SMILES for 5-(3-methoxyphenyl)-4-phenylpyrimidin-2-amine is COc1cccc(-c2cnc(N)nc2-c2ccccc2)c1.
What is the InChIKey of 5-(3-methoxyphenyl)-4-phenylpyrimidin-2-amine?
The InChIKey is CHYKMYJLTKUFAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O/c1-21-14-9-5-8-13(10-14)15-11-19-17(18)20-16(15)12-6-3-2-4-7-12/h2-11H,1H3,(H2,18,19,20).
What are the key properties of 5-(3-methoxyphenyl)-4-phenylpyrimidin-2-amine?
5-(3-methoxyphenyl)-4-phenylpyrimidin-2-amine has a molecular weight of 277.33 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methoxyphenyl)-4-phenylpyrimidin-2-amine is sourced from PubChem (CID 134140823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).