N-[(5-methyl-2-phenylmethoxyphenyl)methyl]-7H-purin-6-amine

C20H19N5O — CID 141033688

IUPACN-[(5-methyl-2-phenylmethoxyphenyl)methyl]-7H-purin-6-amine
SMILESCc1ccc(OCc2ccccc2)c(CNc2ncnc3nc[nH]c23)c1
InChIInChI=1S/C20H19N5O/c1-14-7-8-17(26-11-15-5-3-2-4-6-15)16(9-14)10-21-19-18-20(23-12-22-18)25-13-24-19/h2-9,12-13H,10-11H2,1H3,(H2,21,22,23,24,25)
InChIKeyLTRTUYXOMANEMB-UHFFFAOYSA-N
MW345.41 g/mol
LogP3.85
Rot. Bonds6

About N-[(5-methyl-2-phenylmethoxyphenyl)methyl]-7H-purin-6-amine

N-[(5-methyl-2-phenylmethoxyphenyl)methyl]-7H-purin-6-amine (PubChem CID 141033688) has the molecular formula C20H19N5O and a molecular weight of 345.41 g/mol. Its IUPAC name is N-[(5-methyl-2-phenylmethoxyphenyl)methyl]-7H-purin-6-amine.

Molecular Properties

Compound NameN-[(5-methyl-2-phenylmethoxyphenyl)methyl]-7H-purin-6-amine
PubChem CID141033688
Molecular FormulaC20H19N5O
Molecular Weight345.41 g/mol
Exact Mass345.16
IUPAC NameN-[(5-methyl-2-phenylmethoxyphenyl)methyl]-7H-purin-6-amine
SMILESCc1ccc(OCc2ccccc2)c(CNc2ncnc3nc[nH]c23)c1
InChIInChI=1S/C20H19N5O/c1-14-7-8-17(26-11-15-5-3-2-4-6-15)16(9-14)10-21-19-18-20(23-12-22-18)25-13-24-19/h2-9,12-13H,10-11H2,1H3,(H2,21,22,23,24,25)
InChIKeyLTRTUYXOMANEMB-UHFFFAOYSA-N
XLogP3.85
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.41
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3,5-dimethylphenyl)methyl]-7H-purin-6-amine
CID 58205175
N-[(3,4-dimethoxyphenyl)methyl]-7H-purin-6-amine
CID 11529329
N-[(3-methylsulfanylphenyl)methyl]-7H-purin-6-amine
CID 39840813
3,6-dimethoxy-2-[(7H-purin-6-ylamino)methyl]phenol
CID 123171522
4,5-dimethoxy-2-[(7H-purin-6-ylamino)methyl]phenol
CID 123991801
N-benzyl-7H-purin-6-amine;N,N-dimethyl-7H-purin-6-amine;6-[(3-methylphenyl)methoxy]-7H-purine;6-phenylmethoxy-7H-purine;N-(7H-purin-6-yl)benzamide
CID 161041846
N-[(6-methyl-3-pyridinyl)methyl]-7H-purin-6-amine
CID 60965843
N-[(2-amino-3-propan-2-ylphenyl)methyl]-7H-purin-6-amine
CID 67542477
2-(bromomethyl)-4-methyl-1-phenylmethoxybenzene
CID 14885530
N'-benzyl-N'-methyl-N-(7H-purin-6-yl)ethane-1,2-diamine
CID 756726
2-[(7H-purin-6-ylamino)methyl]benzene-1,3-diol
CID 69242881
N-[(3,5-dibromo-4-methoxyphenyl)methyl]-7H-purin-6-amine
CID 10223442

Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-2-phenylmethoxyphenyl)methyl]-7H-purin-6-amine?
The IUPAC name of N-[(5-methyl-2-phenylmethoxyphenyl)methyl]-7H-purin-6-amine (CID 141033688) is N-[(5-methyl-2-phenylmethoxyphenyl)methyl]-7H-purin-6-amine.
What is the SMILES notation for N-[(5-methyl-2-phenylmethoxyphenyl)methyl]-7H-purin-6-amine?
The canonical SMILES for N-[(5-methyl-2-phenylmethoxyphenyl)methyl]-7H-purin-6-amine is Cc1ccc(OCc2ccccc2)c(CNc2ncnc3nc[nH]c23)c1.
What is the InChIKey of N-[(5-methyl-2-phenylmethoxyphenyl)methyl]-7H-purin-6-amine?
The InChIKey is LTRTUYXOMANEMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O/c1-14-7-8-17(26-11-15-5-3-2-4-6-15)16(9-14)10-21-19-18-20(23-12-22-18)25-13-24-19/h2-9,12-13H,10-11H2,1H3,(H2,21,22,23,24,25).
What are the key properties of N-[(5-methyl-2-phenylmethoxyphenyl)methyl]-7H-purin-6-amine?
N-[(5-methyl-2-phenylmethoxyphenyl)methyl]-7H-purin-6-amine has a molecular weight of 345.41 g/mol, XLogP of 3.85, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-2-phenylmethoxyphenyl)methyl]-7H-purin-6-amine is sourced from PubChem (CID 141033688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).