5-(aminomethyl)-6-(4-methylphenyl)-2-phenylpyrimidin-4-amine

C18H18N4 — CID 10171676

IUPAC5-(aminomethyl)-6-(4-methylphenyl)-2-phenylpyrimidin-4-amine
SMILESCc1ccc(-c2nc(-c3ccccc3)nc(N)c2CN)cc1
InChIInChI=1S/C18H18N4/c1-12-7-9-13(10-8-12)16-15(11-19)17(20)22-18(21-16)14-5-3-2-4-6-14/h2-10H,11,19H2,1H3,(H2,20,21,22)
InChIKeyLSFGXKYZSHSQMC-UHFFFAOYSA-N
MW290.37 g/mol
LogP3.16
Rot. Bonds3

About 5-(aminomethyl)-6-(4-methylphenyl)-2-phenylpyrimidin-4-amine

5-(aminomethyl)-6-(4-methylphenyl)-2-phenylpyrimidin-4-amine (PubChem CID 10171676) has the molecular formula C18H18N4 and a molecular weight of 290.37 g/mol. Its IUPAC name is 5-(aminomethyl)-6-(4-methylphenyl)-2-phenylpyrimidin-4-amine.

Molecular Properties

Compound Name5-(aminomethyl)-6-(4-methylphenyl)-2-phenylpyrimidin-4-amine
PubChem CID10171676
Molecular FormulaC18H18N4
Molecular Weight290.37 g/mol
Exact Mass290.15
IUPAC Name5-(aminomethyl)-6-(4-methylphenyl)-2-phenylpyrimidin-4-amine
SMILESCc1ccc(-c2nc(-c3ccccc3)nc(N)c2CN)cc1
InChIInChI=1S/C18H18N4/c1-12-7-9-13(10-8-12)16-15(11-19)17(20)22-18(21-16)14-5-3-2-4-6-14/h2-10H,11,19H2,1H3,(H2,20,21,22)
InChIKeyLSFGXKYZSHSQMC-UHFFFAOYSA-N
XLogP3.16
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-6-(4-methylphenyl)-2-phenylpyrimidin-4-amine?
The IUPAC name of 5-(aminomethyl)-6-(4-methylphenyl)-2-phenylpyrimidin-4-amine (CID 10171676) is 5-(aminomethyl)-6-(4-methylphenyl)-2-phenylpyrimidin-4-amine.
What is the SMILES notation for 5-(aminomethyl)-6-(4-methylphenyl)-2-phenylpyrimidin-4-amine?
The canonical SMILES for 5-(aminomethyl)-6-(4-methylphenyl)-2-phenylpyrimidin-4-amine is Cc1ccc(-c2nc(-c3ccccc3)nc(N)c2CN)cc1.
What is the InChIKey of 5-(aminomethyl)-6-(4-methylphenyl)-2-phenylpyrimidin-4-amine?
The InChIKey is LSFGXKYZSHSQMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4/c1-12-7-9-13(10-8-12)16-15(11-19)17(20)22-18(21-16)14-5-3-2-4-6-14/h2-10H,11,19H2,1H3,(H2,20,21,22).
What are the key properties of 5-(aminomethyl)-6-(4-methylphenyl)-2-phenylpyrimidin-4-amine?
5-(aminomethyl)-6-(4-methylphenyl)-2-phenylpyrimidin-4-amine has a molecular weight of 290.37 g/mol, XLogP of 3.16, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-6-(4-methylphenyl)-2-phenylpyrimidin-4-amine is sourced from PubChem (CID 10171676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).