6-N-[(6-methyl-3-pyridinyl)methyl]-7H-purine-2,6-diamine

C12H13N7 — CID 104623346

IUPAC6-N-[(6-methyl-3-pyridinyl)methyl]-7H-purine-2,6-diamine
SMILESCc1ccc(CNc2nc(N)nc3nc[nH]c23)cn1
InChIInChI=1S/C12H13N7/c1-7-2-3-8(4-14-7)5-15-10-9-11(17-6-16-9)19-12(13)18-10/h2-4,6H,5H2,1H3,(H4,13,15,16,17,18,19)
InChIKeyVYWBWJJMGZRCCO-UHFFFAOYSA-N
MW255.29 g/mol
LogP1.25
Rot. Bonds3

About 6-N-[(6-methyl-3-pyridinyl)methyl]-7H-purine-2,6-diamine

6-N-[(6-methyl-3-pyridinyl)methyl]-7H-purine-2,6-diamine (PubChem CID 104623346) has the molecular formula C12H13N7 and a molecular weight of 255.29 g/mol. Its IUPAC name is 6-N-[(6-methyl-3-pyridinyl)methyl]-7H-purine-2,6-diamine.

Molecular Properties

Compound Name6-N-[(6-methyl-3-pyridinyl)methyl]-7H-purine-2,6-diamine
PubChem CID104623346
Molecular FormulaC12H13N7
Molecular Weight255.29 g/mol
Exact Mass255.12
IUPAC Name6-N-[(6-methyl-3-pyridinyl)methyl]-7H-purine-2,6-diamine
SMILESCc1ccc(CNc2nc(N)nc3nc[nH]c23)cn1
InChIInChI=1S/C12H13N7/c1-7-2-3-8(4-14-7)5-15-10-9-11(17-6-16-9)19-12(13)18-10/h2-4,6H,5H2,1H3,(H4,13,15,16,17,18,19)
InChIKeyVYWBWJJMGZRCCO-UHFFFAOYSA-N
XLogP1.25
TPSA105.40 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.29
LogP ≤ 51.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(6-methyl-3-pyridinyl)methyl]-7H-purin-6-amine
CID 60965843
4-[[(2-amino-7H-purin-6-yl)amino]methyl]phenol
CID 86271711
6-N-[(2-methylphenyl)methyl]-7H-purine-2,6-diamine
CID 86271615
6-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-7H-purine-2,6-diamine
CID 114784347
6-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-7H-purine-2,6-diamine
CID 113434107
6-N-[(3,4,5-trimethoxyphenyl)methyl]-7H-purine-2,6-diamine
CID 86271803
6-N-propyl-7H-purine-2,6-diamine
CID 22916641
6-N-[2-(4-methoxyphenyl)ethyl]-7H-purine-2,6-diamine
CID 39377702
4-[2-[(2-amino-7H-purin-6-yl)amino]ethyl]phenol
CID 104623404
6-N-(2,3-dimethylbutyl)-7H-purine-2,6-diamine
CID 104623745
6-N-tert-butyl-7H-purine-2,6-diamine
CID 114783406
6-N-[(1,4,6-trimethyl-2H-pyridin-3-yl)methyl]-7H-purine-2,6-diamine
CID 170075108

Frequently Asked Questions

What is the IUPAC name of 6-N-[(6-methyl-3-pyridinyl)methyl]-7H-purine-2,6-diamine?
The IUPAC name of 6-N-[(6-methyl-3-pyridinyl)methyl]-7H-purine-2,6-diamine (CID 104623346) is 6-N-[(6-methyl-3-pyridinyl)methyl]-7H-purine-2,6-diamine.
What is the SMILES notation for 6-N-[(6-methyl-3-pyridinyl)methyl]-7H-purine-2,6-diamine?
The canonical SMILES for 6-N-[(6-methyl-3-pyridinyl)methyl]-7H-purine-2,6-diamine is Cc1ccc(CNc2nc(N)nc3nc[nH]c23)cn1.
What is the InChIKey of 6-N-[(6-methyl-3-pyridinyl)methyl]-7H-purine-2,6-diamine?
The InChIKey is VYWBWJJMGZRCCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N7/c1-7-2-3-8(4-14-7)5-15-10-9-11(17-6-16-9)19-12(13)18-10/h2-4,6H,5H2,1H3,(H4,13,15,16,17,18,19).
What are the key properties of 6-N-[(6-methyl-3-pyridinyl)methyl]-7H-purine-2,6-diamine?
6-N-[(6-methyl-3-pyridinyl)methyl]-7H-purine-2,6-diamine has a molecular weight of 255.29 g/mol, XLogP of 1.25, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[(6-methyl-3-pyridinyl)methyl]-7H-purine-2,6-diamine is sourced from PubChem (CID 104623346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).