N,4-diphenyl-6-(2-phenylethyl)pyrimidin-2-amine

C24H21N3 — CID 631732

IUPACN,4-diphenyl-6-(2-phenylethyl)pyrimidin-2-amine
SMILESc1ccc(CCc2cc(-c3ccccc3)nc(Nc3ccccc3)n2)cc1
InChIInChI=1S/C24H21N3/c1-4-10-19(11-5-1)16-17-22-18-23(20-12-6-2-7-13-20)27-24(26-22)25-21-14-8-3-9-15-21/h1-15,18H,16-17H2,(H,25,26,27)
InChIKeyXQXWWTMJVJRYPK-UHFFFAOYSA-N
MW351.45 g/mol
LogP5.67
Rot. Bonds6

About N,4-diphenyl-6-(2-phenylethyl)pyrimidin-2-amine

N,4-diphenyl-6-(2-phenylethyl)pyrimidin-2-amine (PubChem CID 631732) has the molecular formula C24H21N3 and a molecular weight of 351.45 g/mol. Its IUPAC name is N,4-diphenyl-6-(2-phenylethyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN,4-diphenyl-6-(2-phenylethyl)pyrimidin-2-amine
PubChem CID631732
Molecular FormulaC24H21N3
Molecular Weight351.45 g/mol
Exact Mass351.17
IUPAC NameN,4-diphenyl-6-(2-phenylethyl)pyrimidin-2-amine
SMILESc1ccc(CCc2cc(-c3ccccc3)nc(Nc3ccccc3)n2)cc1
InChIInChI=1S/C24H21N3/c1-4-10-19(11-5-1)16-17-22-18-23(20-12-6-2-7-13-20)27-24(26-22)25-21-14-8-3-9-15-21/h1-15,18H,16-17H2,(H,25,26,27)
InChIKeyXQXWWTMJVJRYPK-UHFFFAOYSA-N
XLogP5.67
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.45
LogP ≤ 55.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,4-diphenyl-6-(2-phenylethyl)pyrimidin-2-amine?
The IUPAC name of N,4-diphenyl-6-(2-phenylethyl)pyrimidin-2-amine (CID 631732) is N,4-diphenyl-6-(2-phenylethyl)pyrimidin-2-amine.
What is the SMILES notation for N,4-diphenyl-6-(2-phenylethyl)pyrimidin-2-amine?
The canonical SMILES for N,4-diphenyl-6-(2-phenylethyl)pyrimidin-2-amine is c1ccc(CCc2cc(-c3ccccc3)nc(Nc3ccccc3)n2)cc1.
What is the InChIKey of N,4-diphenyl-6-(2-phenylethyl)pyrimidin-2-amine?
The InChIKey is XQXWWTMJVJRYPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3/c1-4-10-19(11-5-1)16-17-22-18-23(20-12-6-2-7-13-20)27-24(26-22)25-21-14-8-3-9-15-21/h1-15,18H,16-17H2,(H,25,26,27).
What are the key properties of N,4-diphenyl-6-(2-phenylethyl)pyrimidin-2-amine?
N,4-diphenyl-6-(2-phenylethyl)pyrimidin-2-amine has a molecular weight of 351.45 g/mol, XLogP of 5.67, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-diphenyl-6-(2-phenylethyl)pyrimidin-2-amine is sourced from PubChem (CID 631732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).