phenyl-[4-(7H-purin-6-yl)phenyl]methanamine

C18H15N5 — CID 11688053

IUPACphenyl-[4-(7H-purin-6-yl)phenyl]methanamine
SMILESNC(c1ccccc1)c1ccc(-c2ncnc3nc[nH]c23)cc1
InChIInChI=1S/C18H15N5/c19-15(12-4-2-1-3-5-12)13-6-8-14(9-7-13)16-17-18(22-10-20-16)23-11-21-17/h1-11,15H,19H2,(H,20,21,22,23)
InChIKeyCWHMAWBXRCDOEB-UHFFFAOYSA-N
MW301.35 g/mol
LogP3.07
Rot. Bonds3

About phenyl-[4-(7H-purin-6-yl)phenyl]methanamine

phenyl-[4-(7H-purin-6-yl)phenyl]methanamine (PubChem CID 11688053) has the molecular formula C18H15N5 and a molecular weight of 301.35 g/mol. Its IUPAC name is phenyl-[4-(7H-purin-6-yl)phenyl]methanamine.

Molecular Properties

Compound Namephenyl-[4-(7H-purin-6-yl)phenyl]methanamine
PubChem CID11688053
Molecular FormulaC18H15N5
Molecular Weight301.35 g/mol
Exact Mass301.13
IUPAC Namephenyl-[4-(7H-purin-6-yl)phenyl]methanamine
SMILESNC(c1ccccc1)c1ccc(-c2ncnc3nc[nH]c23)cc1
InChIInChI=1S/C18H15N5/c19-15(12-4-2-1-3-5-12)13-6-8-14(9-7-13)16-17-18(22-10-20-16)23-11-21-17/h1-11,15H,19H2,(H,20,21,22,23)
InChIKeyCWHMAWBXRCDOEB-UHFFFAOYSA-N
XLogP3.07
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Benzylaminopurine
CID 62389
Mavorixafor
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6-(4-((4-Ethyl-1-piperazinyl)methyl)phenyl)-N-((1R)-1-phenylethyl)-7H-pyrrolo(2,3-d)pyrimidin-4-amine
CID 10297043
9-(2-phenylethyl)-9H-purin-6-amine
CID 309375
Luf-5962
CID 11617054
N-(2-phenylethyl)-9H-purin-6-amine
CID 756669
7H-Adenine, N-(p-fluorophenyl)-
CID 51998
N6-(4-Nitrobenzyl)-N2-[3-(trifluoromethyl)benzyl]-3H-purine-2,6-diamine
CID 16760513
(2~{R})-2-[[6-[(4-phenylphenyl)methylamino]-9-propan-2-yl-purin-2-yl]amino]butan-1-ol
CID 10137573
8-cyclohexyl-2,6-diphenyl-9H-purine
CID 11523232
8-isopropyl-2,6-diphenyl-9H-purine
CID 11536936
5,7-diphenyl-2-propan-2-yl-1H-imidazo[4,5-b]pyridine
CID 16109428

Frequently Asked Questions

What is the IUPAC name of phenyl-[4-(7H-purin-6-yl)phenyl]methanamine?
The IUPAC name of phenyl-[4-(7H-purin-6-yl)phenyl]methanamine (CID 11688053) is phenyl-[4-(7H-purin-6-yl)phenyl]methanamine.
What is the SMILES notation for phenyl-[4-(7H-purin-6-yl)phenyl]methanamine?
The canonical SMILES for phenyl-[4-(7H-purin-6-yl)phenyl]methanamine is NC(c1ccccc1)c1ccc(-c2ncnc3nc[nH]c23)cc1.
What is the InChIKey of phenyl-[4-(7H-purin-6-yl)phenyl]methanamine?
The InChIKey is CWHMAWBXRCDOEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5/c19-15(12-4-2-1-3-5-12)13-6-8-14(9-7-13)16-17-18(22-10-20-16)23-11-21-17/h1-11,15H,19H2,(H,20,21,22,23).
What are the key properties of phenyl-[4-(7H-purin-6-yl)phenyl]methanamine?
phenyl-[4-(7H-purin-6-yl)phenyl]methanamine has a molecular weight of 301.35 g/mol, XLogP of 3.07, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-[4-(7H-purin-6-yl)phenyl]methanamine is sourced from PubChem (CID 11688053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).