N,4,6-triphenylpyrimidin-2-amine

C22H17N3 — CID 629517

IUPACN,4,6-triphenylpyrimidin-2-amine
SMILESc1ccc(Nc2nc(-c3ccccc3)cc(-c3ccccc3)n2)cc1
InChIInChI=1S/C22H17N3/c1-4-10-17(11-5-1)20-16-21(18-12-6-2-7-13-18)25-22(24-20)23-19-14-8-3-9-15-19/h1-16H,(H,23,24,25)
InChIKeyVEIYBKXRSKDYON-UHFFFAOYSA-N
MW323.40 g/mol
LogP5.55
Rot. Bonds4

About N,4,6-triphenylpyrimidin-2-amine

N,4,6-triphenylpyrimidin-2-amine (PubChem CID 629517) has the molecular formula C22H17N3 and a molecular weight of 323.40 g/mol. Its IUPAC name is N,4,6-triphenylpyrimidin-2-amine.

Molecular Properties

Compound NameN,4,6-triphenylpyrimidin-2-amine
PubChem CID629517
Molecular FormulaC22H17N3
Molecular Weight323.40 g/mol
Exact Mass323.14
IUPAC NameN,4,6-triphenylpyrimidin-2-amine
SMILESc1ccc(Nc2nc(-c3ccccc3)cc(-c3ccccc3)n2)cc1
InChIInChI=1S/C22H17N3/c1-4-10-17(11-5-1)20-16-21(18-12-6-2-7-13-18)25-22(24-20)23-19-14-8-3-9-15-19/h1-16H,(H,23,24,25)
InChIKeyVEIYBKXRSKDYON-UHFFFAOYSA-N
XLogP5.55
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.40
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,4,6-triphenylpyrimidin-2-amine?
The IUPAC name of N,4,6-triphenylpyrimidin-2-amine (CID 629517) is N,4,6-triphenylpyrimidin-2-amine.
What is the SMILES notation for N,4,6-triphenylpyrimidin-2-amine?
The canonical SMILES for N,4,6-triphenylpyrimidin-2-amine is c1ccc(Nc2nc(-c3ccccc3)cc(-c3ccccc3)n2)cc1.
What is the InChIKey of N,4,6-triphenylpyrimidin-2-amine?
The InChIKey is VEIYBKXRSKDYON-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3/c1-4-10-17(11-5-1)20-16-21(18-12-6-2-7-13-18)25-22(24-20)23-19-14-8-3-9-15-19/h1-16H,(H,23,24,25).
What are the key properties of N,4,6-triphenylpyrimidin-2-amine?
N,4,6-triphenylpyrimidin-2-amine has a molecular weight of 323.40 g/mol, XLogP of 5.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,4,6-triphenylpyrimidin-2-amine is sourced from PubChem (CID 629517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).