N-[(6-methyl-3-pyridinyl)methyl]-7H-purin-6-amine

C12H12N6 — CID 60965843

IUPACN-[(6-methyl-3-pyridinyl)methyl]-7H-purin-6-amine
SMILESCc1ccc(CNc2ncnc3nc[nH]c23)cn1
InChIInChI=1S/C12H12N6/c1-8-2-3-9(4-13-8)5-14-11-10-12(16-6-15-10)18-7-17-11/h2-4,6-7H,5H2,1H3,(H2,14,15,16,17,18)
InChIKeyJQVPHQPFKHOIQF-UHFFFAOYSA-N
MW240.27 g/mol
LogP1.67
Rot. Bonds3

About N-[(6-methyl-3-pyridinyl)methyl]-7H-purin-6-amine

N-[(6-methyl-3-pyridinyl)methyl]-7H-purin-6-amine (PubChem CID 60965843) has the molecular formula C12H12N6 and a molecular weight of 240.27 g/mol. Its IUPAC name is N-[(6-methyl-3-pyridinyl)methyl]-7H-purin-6-amine.

Molecular Properties

Compound NameN-[(6-methyl-3-pyridinyl)methyl]-7H-purin-6-amine
PubChem CID60965843
Molecular FormulaC12H12N6
Molecular Weight240.27 g/mol
Exact Mass240.11
IUPAC NameN-[(6-methyl-3-pyridinyl)methyl]-7H-purin-6-amine
SMILESCc1ccc(CNc2ncnc3nc[nH]c23)cn1
InChIInChI=1S/C12H12N6/c1-8-2-3-9(4-13-8)5-14-11-10-12(16-6-15-10)18-7-17-11/h2-4,6-7H,5H2,1H3,(H2,14,15,16,17,18)
InChIKeyJQVPHQPFKHOIQF-UHFFFAOYSA-N
XLogP1.67
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-N-[(6-methyl-3-pyridinyl)methyl]-7H-purine-2,6-diamine
CID 104623346
N-[(3,5-dimethylphenyl)methyl]-7H-purin-6-amine
CID 58205175
N-[(4-propan-2-ylphenyl)methyl]-7H-purin-6-amine
CID 61397737
N-[[4-(difluoromethyl)phenyl]methyl]-7H-purin-6-amine
CID 133474798
N-[(3,4-dimethoxyphenyl)methyl]-7H-purin-6-amine
CID 11529329
N-[[4-(propan-2-yloxymethyl)phenyl]methyl]-7H-purin-6-amine
CID 94432722
N-benzyl-7H-purin-6-amine;7H-purine
CID 70256184
N-[(3-methylsulfanylphenyl)methyl]-7H-purin-6-amine
CID 39840813
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
(7H-purin-6-ylamino)methanol
CID 86209273
6-methoxy-5-methyl-N-[(6-methyl-3-pyridinyl)methyl]pyrimidin-4-amine
CID 66325637

Frequently Asked Questions

What is the IUPAC name of N-[(6-methyl-3-pyridinyl)methyl]-7H-purin-6-amine?
The IUPAC name of N-[(6-methyl-3-pyridinyl)methyl]-7H-purin-6-amine (CID 60965843) is N-[(6-methyl-3-pyridinyl)methyl]-7H-purin-6-amine.
What is the SMILES notation for N-[(6-methyl-3-pyridinyl)methyl]-7H-purin-6-amine?
The canonical SMILES for N-[(6-methyl-3-pyridinyl)methyl]-7H-purin-6-amine is Cc1ccc(CNc2ncnc3nc[nH]c23)cn1.
What is the InChIKey of N-[(6-methyl-3-pyridinyl)methyl]-7H-purin-6-amine?
The InChIKey is JQVPHQPFKHOIQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N6/c1-8-2-3-9(4-13-8)5-14-11-10-12(16-6-15-10)18-7-17-11/h2-4,6-7H,5H2,1H3,(H2,14,15,16,17,18).
What are the key properties of N-[(6-methyl-3-pyridinyl)methyl]-7H-purin-6-amine?
N-[(6-methyl-3-pyridinyl)methyl]-7H-purin-6-amine has a molecular weight of 240.27 g/mol, XLogP of 1.67, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methyl-3-pyridinyl)methyl]-7H-purin-6-amine is sourced from PubChem (CID 60965843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).