5-(4-methylphenyl)-2-phenylpyrimidin-4-amine

C17H15N3 — CID 62900567

IUPAC5-(4-methylphenyl)-2-phenylpyrimidin-4-amine
SMILESCc1ccc(-c2cnc(-c3ccccc3)nc2N)cc1
InChIInChI=1S/C17H15N3/c1-12-7-9-13(10-8-12)15-11-19-17(20-16(15)18)14-5-3-2-4-6-14/h2-11H,1H3,(H2,18,19,20)
InChIKeyINDVXJQHURGGAN-UHFFFAOYSA-N
MW261.33 g/mol
LogP3.70
Rot. Bonds2

About 5-(4-methylphenyl)-2-phenylpyrimidin-4-amine

5-(4-methylphenyl)-2-phenylpyrimidin-4-amine (PubChem CID 62900567) has the molecular formula C17H15N3 and a molecular weight of 261.33 g/mol. Its IUPAC name is 5-(4-methylphenyl)-2-phenylpyrimidin-4-amine.

Molecular Properties

Compound Name5-(4-methylphenyl)-2-phenylpyrimidin-4-amine
PubChem CID62900567
Molecular FormulaC17H15N3
Molecular Weight261.33 g/mol
Exact Mass261.13
IUPAC Name5-(4-methylphenyl)-2-phenylpyrimidin-4-amine
SMILESCc1ccc(-c2cnc(-c3ccccc3)nc2N)cc1
InChIInChI=1S/C17H15N3/c1-12-7-9-13(10-8-12)15-11-19-17(20-16(15)18)14-5-3-2-4-6-14/h2-11H,1H3,(H2,18,19,20)
InChIKeyINDVXJQHURGGAN-UHFFFAOYSA-N
XLogP3.70
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methylphenyl)-2-phenylpyrimidin-4-amine?
The IUPAC name of 5-(4-methylphenyl)-2-phenylpyrimidin-4-amine (CID 62900567) is 5-(4-methylphenyl)-2-phenylpyrimidin-4-amine.
What is the SMILES notation for 5-(4-methylphenyl)-2-phenylpyrimidin-4-amine?
The canonical SMILES for 5-(4-methylphenyl)-2-phenylpyrimidin-4-amine is Cc1ccc(-c2cnc(-c3ccccc3)nc2N)cc1.
What is the InChIKey of 5-(4-methylphenyl)-2-phenylpyrimidin-4-amine?
The InChIKey is INDVXJQHURGGAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3/c1-12-7-9-13(10-8-12)15-11-19-17(20-16(15)18)14-5-3-2-4-6-14/h2-11H,1H3,(H2,18,19,20).
What are the key properties of 5-(4-methylphenyl)-2-phenylpyrimidin-4-amine?
5-(4-methylphenyl)-2-phenylpyrimidin-4-amine has a molecular weight of 261.33 g/mol, XLogP of 3.70, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylphenyl)-2-phenylpyrimidin-4-amine is sourced from PubChem (CID 62900567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).