8-benzyl-2-phenyl-N-[(1S)-1-phenylethyl]-7H-purin-6-amine

C26H23N5 — CID 10363919

IUPAC8-benzyl-2-phenyl-N-[(1S)-1-phenylethyl]-7H-purin-6-amine
SMILESC[C@H](Nc1nc(-c2ccccc2)nc2nc(Cc3ccccc3)[nH]c12)c1ccccc1
InChIInChI=1S/C26H23N5/c1-18(20-13-7-3-8-14-20)27-25-23-26(31-24(30-25)21-15-9-4-10-16-21)29-22(28-23)17-19-11-5-2-6-12-19/h2-16,18H,17H2,1H3,(H2,27,28,29,30,31)/t18-/m0/s1
InChIKeyFFAQOUSBCYLQAP-SFHVURJKSA-N
MW405.50 g/mol
LogP5.78
Rot. Bonds6

About 8-benzyl-2-phenyl-N-[(1S)-1-phenylethyl]-7H-purin-6-amine

8-benzyl-2-phenyl-N-[(1S)-1-phenylethyl]-7H-purin-6-amine (PubChem CID 10363919) has the molecular formula C26H23N5 and a molecular weight of 405.50 g/mol. Its IUPAC name is 8-benzyl-2-phenyl-N-[(1S)-1-phenylethyl]-7H-purin-6-amine.

Molecular Properties

Compound Name8-benzyl-2-phenyl-N-[(1S)-1-phenylethyl]-7H-purin-6-amine
PubChem CID10363919
Molecular FormulaC26H23N5
Molecular Weight405.50 g/mol
Exact Mass405.20
IUPAC Name8-benzyl-2-phenyl-N-[(1S)-1-phenylethyl]-7H-purin-6-amine
SMILESC[C@H](Nc1nc(-c2ccccc2)nc2nc(Cc3ccccc3)[nH]c12)c1ccccc1
InChIInChI=1S/C26H23N5/c1-18(20-13-7-3-8-14-20)27-25-23-26(31-24(30-25)21-15-9-4-10-16-21)29-22(28-23)17-19-11-5-2-6-12-19/h2-16,18H,17H2,1H3,(H2,27,28,29,30,31)/t18-/m0/s1
InChIKeyFFAQOUSBCYLQAP-SFHVURJKSA-N
XLogP5.78
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.50
LogP ≤ 55.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methylphenyl)-N-(1-phenylethyl)quinazolin-4-amine
CID 2790952
5-benzyl-4-N,6-N-dimethyl-2-phenylpyrimidine-4,6-diamine
CID 12526552
5-N,6-N-bis[(1R)-1-phenylethyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
CID 1111822
2-phenyl-N-(1-phenylethyl)pyrimidin-5-amine
CID 43723286
6-benzyl-3-[[(1S)-1-phenylethyl]amino]-4H-1,2,4-triazin-5-one
CID 135774769
8-benzyl-7H-purin-6-amine;ethane
CID 144791619
8-methyl-2,6-diphenyl-7H-purine
CID 11254681
N-(1-phenylethyl)-2-(5-phenyl-1,3,4-oxadiazol-2-yl)quinazolin-4-amine
CID 53008661
5-benzyl-N-(4-methoxyphenyl)-6-methyl-2-phenylpyrimidin-4-amine
CID 23605395
6-N-(2-methoxyethyl)-2-phenyl-4-N-(1-phenylethyl)pyrimidine-4,6-diamine
CID 112880243
5-methyl-4-N-(1-phenylethyl)-2-propylpyrimidine-4,6-diamine
CID 80981407
5-[(4-chlorophenyl)methyl]-4-methyl-2-(1-phenylethylamino)-1H-pyrimidin-6-one
CID 136779695

Frequently Asked Questions

What is the IUPAC name of 8-benzyl-2-phenyl-N-[(1S)-1-phenylethyl]-7H-purin-6-amine?
The IUPAC name of 8-benzyl-2-phenyl-N-[(1S)-1-phenylethyl]-7H-purin-6-amine (CID 10363919) is 8-benzyl-2-phenyl-N-[(1S)-1-phenylethyl]-7H-purin-6-amine.
What is the SMILES notation for 8-benzyl-2-phenyl-N-[(1S)-1-phenylethyl]-7H-purin-6-amine?
The canonical SMILES for 8-benzyl-2-phenyl-N-[(1S)-1-phenylethyl]-7H-purin-6-amine is C[C@H](Nc1nc(-c2ccccc2)nc2nc(Cc3ccccc3)[nH]c12)c1ccccc1.
What is the InChIKey of 8-benzyl-2-phenyl-N-[(1S)-1-phenylethyl]-7H-purin-6-amine?
The InChIKey is FFAQOUSBCYLQAP-SFHVURJKSA-N. The full InChI is InChI=1S/C26H23N5/c1-18(20-13-7-3-8-14-20)27-25-23-26(31-24(30-25)21-15-9-4-10-16-21)29-22(28-23)17-19-11-5-2-6-12-19/h2-16,18H,17H2,1H3,(H2,27,28,29,30,31)/t18-/m0/s1.
What are the key properties of 8-benzyl-2-phenyl-N-[(1S)-1-phenylethyl]-7H-purin-6-amine?
8-benzyl-2-phenyl-N-[(1S)-1-phenylethyl]-7H-purin-6-amine has a molecular weight of 405.50 g/mol, XLogP of 5.78, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-benzyl-2-phenyl-N-[(1S)-1-phenylethyl]-7H-purin-6-amine is sourced from PubChem (CID 10363919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).