6-N-[(1,4,6-trimethyl-2H-pyridin-3-yl)methyl]-7H-purine-2,6-diamine

C14H19N7 — CID 170075108

IUPAC6-N-[(1,4,6-trimethyl-2H-pyridin-3-yl)methyl]-7H-purine-2,6-diamine
SMILESCC1=CC(C)=C(CNc2nc(N)nc3nc[nH]c23)CN1C
InChIInChI=1S/C14H19N7/c1-8-4-9(2)21(3)6-10(8)5-16-12-11-13(18-7-17-11)20-14(15)19-12/h4,7H,5-6H2,1-3H3,(H4,15,16,17,18,19,20)
InChIKeyATDXRAWNPNNONJ-UHFFFAOYSA-N
MW285.36 g/mol
LogP1.51
Rot. Bonds3

About 6-N-[(1,4,6-trimethyl-2H-pyridin-3-yl)methyl]-7H-purine-2,6-diamine

6-N-[(1,4,6-trimethyl-2H-pyridin-3-yl)methyl]-7H-purine-2,6-diamine (PubChem CID 170075108) has the molecular formula C14H19N7 and a molecular weight of 285.36 g/mol. Its IUPAC name is 6-N-[(1,4,6-trimethyl-2H-pyridin-3-yl)methyl]-7H-purine-2,6-diamine.

Molecular Properties

Compound Name6-N-[(1,4,6-trimethyl-2H-pyridin-3-yl)methyl]-7H-purine-2,6-diamine
PubChem CID170075108
Molecular FormulaC14H19N7
Molecular Weight285.36 g/mol
Exact Mass285.17
IUPAC Name6-N-[(1,4,6-trimethyl-2H-pyridin-3-yl)methyl]-7H-purine-2,6-diamine
SMILESCC1=CC(C)=C(CNc2nc(N)nc3nc[nH]c23)CN1C
InChIInChI=1S/C14H19N7/c1-8-4-9(2)21(3)6-10(8)5-16-12-11-13(18-7-17-11)20-14(15)19-12/h4,7H,5-6H2,1-3H3,(H4,15,16,17,18,19,20)
InChIKeyATDXRAWNPNNONJ-UHFFFAOYSA-N
XLogP1.51
TPSA95.75 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.36
LogP ≤ 51.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 6-N-[(1,4,6-trimethyl-2H-pyridin-3-yl)methyl]-7H-purine-2,6-diamine with MolForge

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Related Compounds

6-N-[(2-methylphenyl)methyl]-7H-purine-2,6-diamine
CID 86271615
6-N-propyl-7H-purine-2,6-diamine
CID 22916641
6-N-[2-(4-methylpiperazin-1-yl)ethyl]-7H-purine-2,6-diamine
CID 104623212
6-N-[(6-methyl-3-pyridinyl)methyl]-7H-purine-2,6-diamine
CID 104623346
6-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-7H-purine-2,6-diamine
CID 113434107
6-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-7H-purine-2,6-diamine
CID 114784347
4-[[(2-amino-7H-purin-6-yl)amino]methyl]phenol
CID 86271711
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-(cyclobutylmethyl)-7H-purine-2,6-diamine
CID 115669383
6-N-[(3,4,5-trimethoxyphenyl)methyl]-7H-purine-2,6-diamine
CID 86271803
2-[(2-amino-7H-purin-6-yl)amino]acetamide
CID 114783660

Frequently Asked Questions

What is the IUPAC name of 6-N-[(1,4,6-trimethyl-2H-pyridin-3-yl)methyl]-7H-purine-2,6-diamine?
The IUPAC name of 6-N-[(1,4,6-trimethyl-2H-pyridin-3-yl)methyl]-7H-purine-2,6-diamine (CID 170075108) is 6-N-[(1,4,6-trimethyl-2H-pyridin-3-yl)methyl]-7H-purine-2,6-diamine.
What is the SMILES notation for 6-N-[(1,4,6-trimethyl-2H-pyridin-3-yl)methyl]-7H-purine-2,6-diamine?
The canonical SMILES for 6-N-[(1,4,6-trimethyl-2H-pyridin-3-yl)methyl]-7H-purine-2,6-diamine is CC1=CC(C)=C(CNc2nc(N)nc3nc[nH]c23)CN1C.
What is the InChIKey of 6-N-[(1,4,6-trimethyl-2H-pyridin-3-yl)methyl]-7H-purine-2,6-diamine?
The InChIKey is ATDXRAWNPNNONJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N7/c1-8-4-9(2)21(3)6-10(8)5-16-12-11-13(18-7-17-11)20-14(15)19-12/h4,7H,5-6H2,1-3H3,(H4,15,16,17,18,19,20).
What are the key properties of 6-N-[(1,4,6-trimethyl-2H-pyridin-3-yl)methyl]-7H-purine-2,6-diamine?
6-N-[(1,4,6-trimethyl-2H-pyridin-3-yl)methyl]-7H-purine-2,6-diamine has a molecular weight of 285.36 g/mol, XLogP of 1.51, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[(1,4,6-trimethyl-2H-pyridin-3-yl)methyl]-7H-purine-2,6-diamine is sourced from PubChem (CID 170075108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).