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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Related Compounds

1-[(2-anilino-6-phenylpyrimidin-4-yl)methyl]cyclohexan-1-ol
CID 621541
4-N-(2-methylpropyl)-2-N,6-diphenylpyrimidine-2,4-diamine
CID 112933760
2-N,4-N-bis(4-anilinophenyl)-6-N-(4-benzylphenyl)-1,3,5-triazine-2,4,6-triamine
CID 159020840
4-methoxy-N-phenyl-6-propylpyrimidin-2-amine
CID 15615508
2-N,4-N,6-N-tris[4-[4-(4-phenylphenyl)phenyl]phenyl]-1,3,5-triazine-2,4,6-triamine
CID 146533849
4-chloro-6-phenyl-2-(2-phenylethyl)pyrimidine
CID 61385533
N-benzyl-4-methyl-6-phenylpyrimidin-2-amine
CID 13126867
2-N-(4-ethylphenyl)-6-phenyl-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 112937134
4-[(2-anilino-6-phenylpyrimidin-4-yl)amino]-2-chlorophenol
CID 69347260
2-N-benzyl-4-N-(4-methoxyphenyl)-6-phenylpyrimidine-2,4-diamine
CID 112936904
4-N-benzyl-6-methyl-2-N-phenylpyrimidine-2,4-diamine
CID 5276763
5-fluoro-N-phenyl-4-(2-phenylethyl)pyrimidin-2-amine
CID 66764541

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).