9-[(4-methylphenyl)methyl]purin-6-amine

C13H13N5 — CID 30470362

IUPAC9-[(4-methylphenyl)methyl]purin-6-amine
SMILESCc1ccc(Cn2cnc3c(N)ncnc32)cc1
InChIInChI=1S/C13H13N5/c1-9-2-4-10(5-3-9)6-18-8-17-11-12(14)15-7-16-13(11)18/h2-5,7-8H,6H2,1H3,(H2,14,15,16)
InChIKeyLTICQRLPIZFZIP-UHFFFAOYSA-N
MW239.28 g/mol
LogP1.77
Rot. Bonds2

About 9-[(4-methylphenyl)methyl]purin-6-amine

9-[(4-methylphenyl)methyl]purin-6-amine (PubChem CID 30470362) has the molecular formula C13H13N5 and a molecular weight of 239.28 g/mol. Its IUPAC name is 9-[(4-methylphenyl)methyl]purin-6-amine.

Molecular Properties

Compound Name9-[(4-methylphenyl)methyl]purin-6-amine
PubChem CID30470362
Molecular FormulaC13H13N5
Molecular Weight239.28 g/mol
Exact Mass239.12
IUPAC Name9-[(4-methylphenyl)methyl]purin-6-amine
SMILESCc1ccc(Cn2cnc3c(N)ncnc32)cc1
InChIInChI=1S/C13H13N5/c1-9-2-4-10(5-3-9)6-18-8-17-11-12(14)15-7-16-13(11)18/h2-5,7-8H,6H2,1H3,(H2,14,15,16)
InChIKeyLTICQRLPIZFZIP-UHFFFAOYSA-N
XLogP1.77
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[(6-aminopurin-9-yl)methyl]phenoxy]boronic acid
CID 169006248
9-[(2-chloro-4-pyridinyl)methyl]purin-6-amine
CID 62469538
9-[[4-(aminomethyl)-2-chlorophenyl]methyl]purin-6-amine
CID 102663266
9-[[4-[2-[4-[[4-(dimethylamino)pyridin-1-ium-1-yl]methyl]phenyl]ethyl]phenyl]methyl]purin-6-amine bromide
CID 57391753
9-[(6-chloropyridazin-3-yl)methyl]purin-6-amine
CID 104513941
9-[(6-chloro-2-pyridinyl)methyl]purin-6-amine
CID 79241002
3-(6-aminopurin-9-yl)-4-(4-methylphenyl)butan-2-ol
CID 21460331
9-benzyl-2-(4-methylphenyl)sulfanylpurin-6-amine
CID 18332690
9-(2-chloroethoxymethyl)purin-6-amine
CID 10013983
9-[(2-chloro-6-fluorophenyl)methyl]purin-6-(15N)amine
CID 172677263
2-(6-aminopurin-9-yl)ethylazanium
CID 5248631
5-[(4-methylphenyl)methyl]-11-[(4-methylsulfanylphenyl)methyl]-3,5,7,9,11,13-hexazatricyclo[8.3.0.02,6]trideca-1(10),2,6,8,12-pentaen-4-one
CID 91558792

Frequently Asked Questions

What is the IUPAC name of 9-[(4-methylphenyl)methyl]purin-6-amine?
The IUPAC name of 9-[(4-methylphenyl)methyl]purin-6-amine (CID 30470362) is 9-[(4-methylphenyl)methyl]purin-6-amine.
What is the SMILES notation for 9-[(4-methylphenyl)methyl]purin-6-amine?
The canonical SMILES for 9-[(4-methylphenyl)methyl]purin-6-amine is Cc1ccc(Cn2cnc3c(N)ncnc32)cc1.
What is the InChIKey of 9-[(4-methylphenyl)methyl]purin-6-amine?
The InChIKey is LTICQRLPIZFZIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5/c1-9-2-4-10(5-3-9)6-18-8-17-11-12(14)15-7-16-13(11)18/h2-5,7-8H,6H2,1H3,(H2,14,15,16).
What are the key properties of 9-[(4-methylphenyl)methyl]purin-6-amine?
9-[(4-methylphenyl)methyl]purin-6-amine has a molecular weight of 239.28 g/mol, XLogP of 1.77, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(4-methylphenyl)methyl]purin-6-amine is sourced from PubChem (CID 30470362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).