N,N-dimethyl-9-[(2-methylphenyl)methyl]purin-6-amine

C15H17N5 — CID 14022452

IUPACN,N-dimethyl-9-[(2-methylphenyl)methyl]purin-6-amine
SMILESCc1ccccc1Cn1cnc2c(N(C)C)ncnc21
InChIInChI=1S/C15H17N5/c1-11-6-4-5-7-12(11)8-20-10-18-13-14(19(2)3)16-9-17-15(13)20/h4-7,9-10H,8H2,1-3H3
InChIKeyLBLPEELLSUNQSY-UHFFFAOYSA-N
MW267.34 g/mol
LogP2.25
Rot. Bonds3

About N,N-dimethyl-9-[(2-methylphenyl)methyl]purin-6-amine

N,N-dimethyl-9-[(2-methylphenyl)methyl]purin-6-amine (PubChem CID 14022452) has the molecular formula C15H17N5 and a molecular weight of 267.34 g/mol. Its IUPAC name is N,N-dimethyl-9-[(2-methylphenyl)methyl]purin-6-amine.

Molecular Properties

Compound NameN,N-dimethyl-9-[(2-methylphenyl)methyl]purin-6-amine
PubChem CID14022452
Molecular FormulaC15H17N5
Molecular Weight267.34 g/mol
Exact Mass267.15
IUPAC NameN,N-dimethyl-9-[(2-methylphenyl)methyl]purin-6-amine
SMILESCc1ccccc1Cn1cnc2c(N(C)C)ncnc21
InChIInChI=1S/C15H17N5/c1-11-6-4-5-7-12(11)8-20-10-18-13-14(19(2)3)16-9-17-15(13)20/h4-7,9-10H,8H2,1-3H3
InChIKeyLBLPEELLSUNQSY-UHFFFAOYSA-N
XLogP2.25
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-9-[(2-methylphenyl)methyl]purin-6-amine?
The IUPAC name of N,N-dimethyl-9-[(2-methylphenyl)methyl]purin-6-amine (CID 14022452) is N,N-dimethyl-9-[(2-methylphenyl)methyl]purin-6-amine.
What is the SMILES notation for N,N-dimethyl-9-[(2-methylphenyl)methyl]purin-6-amine?
The canonical SMILES for N,N-dimethyl-9-[(2-methylphenyl)methyl]purin-6-amine is Cc1ccccc1Cn1cnc2c(N(C)C)ncnc21.
What is the InChIKey of N,N-dimethyl-9-[(2-methylphenyl)methyl]purin-6-amine?
The InChIKey is LBLPEELLSUNQSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5/c1-11-6-4-5-7-12(11)8-20-10-18-13-14(19(2)3)16-9-17-15(13)20/h4-7,9-10H,8H2,1-3H3.
What are the key properties of N,N-dimethyl-9-[(2-methylphenyl)methyl]purin-6-amine?
N,N-dimethyl-9-[(2-methylphenyl)methyl]purin-6-amine has a molecular weight of 267.34 g/mol, XLogP of 2.25, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-9-[(2-methylphenyl)methyl]purin-6-amine is sourced from PubChem (CID 14022452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).