9-methyl-N-phenylmethoxypurin-6-amine

C13H13N5O — CID 14602815

IUPAC9-methyl-N-phenylmethoxypurin-6-amine
SMILESCn1cnc2c(NOCc3ccccc3)ncnc21
InChIInChI=1S/C13H13N5O/c1-18-9-16-11-12(14-8-15-13(11)18)17-19-7-10-5-3-2-4-6-10/h2-6,8-9H,7H2,1H3,(H,14,15,17)
InChIKeyYROFBCBAVJVETH-UHFFFAOYSA-N
MW255.28 g/mol
LogP1.91
Rot. Bonds4

About 9-methyl-N-phenylmethoxypurin-6-amine

9-methyl-N-phenylmethoxypurin-6-amine (PubChem CID 14602815) has the molecular formula C13H13N5O and a molecular weight of 255.28 g/mol. Its IUPAC name is 9-methyl-N-phenylmethoxypurin-6-amine.

Molecular Properties

Compound Name9-methyl-N-phenylmethoxypurin-6-amine
PubChem CID14602815
Molecular FormulaC13H13N5O
Molecular Weight255.28 g/mol
Exact Mass255.11
IUPAC Name9-methyl-N-phenylmethoxypurin-6-amine
SMILESCn1cnc2c(NOCc3ccccc3)ncnc21
InChIInChI=1S/C13H13N5O/c1-18-9-16-11-12(14-8-15-13(11)18)17-19-7-10-5-3-2-4-6-10/h2-6,8-9H,7H2,1H3,(H,14,15,17)
InChIKeyYROFBCBAVJVETH-UHFFFAOYSA-N
XLogP1.91
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[3-[[(9-methylpurin-6-yl)amino]methyl]phenyl]methanol
CID 154735606
N-[(2-methoxyphenyl)-phenylmethyl]-9-methylpurin-6-amine
CID 146088176
3-[(9-methylpurin-6-yl)amino]propanoic acid
CID 14161254
N'-(9-methylpurin-6-yl)propane-1,3-diamine
CID 83833396
N-[2-(4-chlorophenyl)ethyl]-9-methylpurin-6-amine
CID 163344769
N-[2-(furan-2-yl)-2-methoxyethyl]-9-methylpurin-6-amine
CID 172904500
9-methyl-6-[4-(2-phenylethyl)piperazin-1-yl]purine
CID 154853569
4-ethyl-N-(9-methylpurin-6-yl)benzamide
CID 163496172
N-benzyl-9-[6-[(4-methylphenyl)methylamino]purin-9-yl]purin-6-amine
CID 66780721
2-(furan-2-yl)-1-[(9-methylpurin-6-yl)amino]propan-2-ol
CID 139023673
N-benzyl-9-heptylpurin-6-amine
CID 71371736
9-phenyl-N-[(2R)-1-phenylpropan-2-yl]purin-6-amine
CID 15693953

Frequently Asked Questions

What is the IUPAC name of 9-methyl-N-phenylmethoxypurin-6-amine?
The IUPAC name of 9-methyl-N-phenylmethoxypurin-6-amine (CID 14602815) is 9-methyl-N-phenylmethoxypurin-6-amine.
What is the SMILES notation for 9-methyl-N-phenylmethoxypurin-6-amine?
The canonical SMILES for 9-methyl-N-phenylmethoxypurin-6-amine is Cn1cnc2c(NOCc3ccccc3)ncnc21.
What is the InChIKey of 9-methyl-N-phenylmethoxypurin-6-amine?
The InChIKey is YROFBCBAVJVETH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O/c1-18-9-16-11-12(14-8-15-13(11)18)17-19-7-10-5-3-2-4-6-10/h2-6,8-9H,7H2,1H3,(H,14,15,17).
What are the key properties of 9-methyl-N-phenylmethoxypurin-6-amine?
9-methyl-N-phenylmethoxypurin-6-amine has a molecular weight of 255.28 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-N-phenylmethoxypurin-6-amine is sourced from PubChem (CID 14602815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).