2-N-[2-(aminomethyl)phenyl]-9-methyl-7,8-dihydropurine-2,6-diamine

C13H17N7 — CID 155058868

IUPAC2-N-[2-(aminomethyl)phenyl]-9-methyl-7,8-dihydropurine-2,6-diamine
SMILESCN1CNc2c(N)nc(Nc3ccccc3CN)nc21
InChIInChI=1S/C13H17N7/c1-20-7-16-10-11(15)18-13(19-12(10)20)17-9-5-3-2-4-8(9)6-14/h2-5,16H,6-7,14H2,1H3,(H3,15,17,18,19)
InChIKeyFVNQGSCATKBIFD-UHFFFAOYSA-N
MW271.33 g/mol
LogP1.08
Rot. Bonds3

About 2-N-[2-(aminomethyl)phenyl]-9-methyl-7,8-dihydropurine-2,6-diamine

2-N-[2-(aminomethyl)phenyl]-9-methyl-7,8-dihydropurine-2,6-diamine (PubChem CID 155058868) has the molecular formula C13H17N7 and a molecular weight of 271.33 g/mol. Its IUPAC name is 2-N-[2-(aminomethyl)phenyl]-9-methyl-7,8-dihydropurine-2,6-diamine.

Molecular Properties

Compound Name2-N-[2-(aminomethyl)phenyl]-9-methyl-7,8-dihydropurine-2,6-diamine
PubChem CID155058868
Molecular FormulaC13H17N7
Molecular Weight271.33 g/mol
Exact Mass271.15
IUPAC Name2-N-[2-(aminomethyl)phenyl]-9-methyl-7,8-dihydropurine-2,6-diamine
SMILESCN1CNc2c(N)nc(Nc3ccccc3CN)nc21
InChIInChI=1S/C13H17N7/c1-20-7-16-10-11(15)18-13(19-12(10)20)17-9-5-3-2-4-8(9)6-14/h2-5,16H,6-7,14H2,1H3,(H3,15,17,18,19)
InChIKeyFVNQGSCATKBIFD-UHFFFAOYSA-N
XLogP1.08
TPSA105.12 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.33
LogP ≤ 51.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

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N-benzyl-4-methyl-6-piperidin-1-ylpyrimidin-2-amine
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Rescovitine
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4-(3,6-Dihydro-2H-pyridin-1-yl)-2-methyl-6-phenyl-5H-pyrrolo[3,2-d]pyrimidine
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N2,N4-dibenzyl-6-methyl-pyrimidine-2,4-diamine
CID 697225
2-(2-hydroxyethylamino)-9-isopropylpurine core C6-substituents, 51
CID 51049525
2-(4,6-Dimethylpyrimidin-2-yl)-2,3-dihydro-1H-isoindol-1-imine; 3466575
CID 3466575
2,4-Disubstituted Pyrimidine 2a
CID 5329414
4-N,6-N-dimethyl-4-N-[(1S)-1-phenylethyl]pyrimidine-2,4,6-triamine
CID 155511596
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CID 1506247

Frequently Asked Questions

What is the IUPAC name of 2-N-[2-(aminomethyl)phenyl]-9-methyl-7,8-dihydropurine-2,6-diamine?
The IUPAC name of 2-N-[2-(aminomethyl)phenyl]-9-methyl-7,8-dihydropurine-2,6-diamine (CID 155058868) is 2-N-[2-(aminomethyl)phenyl]-9-methyl-7,8-dihydropurine-2,6-diamine.
What is the SMILES notation for 2-N-[2-(aminomethyl)phenyl]-9-methyl-7,8-dihydropurine-2,6-diamine?
The canonical SMILES for 2-N-[2-(aminomethyl)phenyl]-9-methyl-7,8-dihydropurine-2,6-diamine is CN1CNc2c(N)nc(Nc3ccccc3CN)nc21.
What is the InChIKey of 2-N-[2-(aminomethyl)phenyl]-9-methyl-7,8-dihydropurine-2,6-diamine?
The InChIKey is FVNQGSCATKBIFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N7/c1-20-7-16-10-11(15)18-13(19-12(10)20)17-9-5-3-2-4-8(9)6-14/h2-5,16H,6-7,14H2,1H3,(H3,15,17,18,19).
What are the key properties of 2-N-[2-(aminomethyl)phenyl]-9-methyl-7,8-dihydropurine-2,6-diamine?
2-N-[2-(aminomethyl)phenyl]-9-methyl-7,8-dihydropurine-2,6-diamine has a molecular weight of 271.33 g/mol, XLogP of 1.08, 3 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-(aminomethyl)phenyl]-9-methyl-7,8-dihydropurine-2,6-diamine is sourced from PubChem (CID 155058868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).