2-N-pyridin-3-yl-6-N-(3,4,5-trimethoxyphenyl)-7H-purine-2,6-diamine

C19H19N7O3 — CID 117087762

IUPAC2-N-pyridin-3-yl-6-N-(3,4,5-trimethoxyphenyl)-7H-purine-2,6-diamine
SMILESCOc1cc(Nc2nc(Nc3cccnc3)nc3nc[nH]c23)cc(OC)c1OC
InChIInChI=1S/C19H19N7O3/c1-27-13-7-12(8-14(28-2)16(13)29-3)23-18-15-17(22-10-21-15)25-19(26-18)24-11-5-4-6-20-9-11/h4-10H,1-3H3,(H3,21,22,23,24,25,26)
InChIKeyOJDBUPIQPCVGKD-UHFFFAOYSA-N
MW393.41 g/mol
LogP3.26
Rot. Bonds7

About 2-N-pyridin-3-yl-6-N-(3,4,5-trimethoxyphenyl)-7H-purine-2,6-diamine

2-N-pyridin-3-yl-6-N-(3,4,5-trimethoxyphenyl)-7H-purine-2,6-diamine (PubChem CID 117087762) has the molecular formula C19H19N7O3 and a molecular weight of 393.41 g/mol. Its IUPAC name is 2-N-pyridin-3-yl-6-N-(3,4,5-trimethoxyphenyl)-7H-purine-2,6-diamine.

Molecular Properties

Compound Name2-N-pyridin-3-yl-6-N-(3,4,5-trimethoxyphenyl)-7H-purine-2,6-diamine
PubChem CID117087762
Molecular FormulaC19H19N7O3
Molecular Weight393.41 g/mol
Exact Mass393.15
IUPAC Name2-N-pyridin-3-yl-6-N-(3,4,5-trimethoxyphenyl)-7H-purine-2,6-diamine
SMILESCOc1cc(Nc2nc(Nc3cccnc3)nc3nc[nH]c23)cc(OC)c1OC
InChIInChI=1S/C19H19N7O3/c1-27-13-7-12(8-14(28-2)16(13)29-3)23-18-15-17(22-10-21-15)25-19(26-18)24-11-5-4-6-20-9-11/h4-10H,1-3H3,(H3,21,22,23,24,25,26)
InChIKeyOJDBUPIQPCVGKD-UHFFFAOYSA-N
XLogP3.26
TPSA119.10 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.41
LogP ≤ 53.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Related Compounds

6-N-pyridin-3-yl-4-N-(3,4,5-trimethoxyphenyl)pyrimidine-4,6-diamine
CID 117087940
2-N-(4-amino-3-methoxyphenyl)-6-N-methyl-7H-purine-2,6-diamine
CID 145496990
1-[3-[[2-(3,4,5-trimethoxyanilino)-7H-purin-6-yl]amino]propyl]pyrrolidin-2-one
CID 117080908
2-(6-morpholin-4-yl-3-pyridinyl)-N-(3,4,5-trimethoxyphenyl)-7H-purin-6-amine
CID 117091578
3-[[6-(2-methoxyphenyl)-7H-purin-2-yl]amino]benzenesulfonamide
CID 174597300
2-chloro-N-(4-chloro-3-methoxyphenyl)-7H-purin-6-amine
CID 107622624
6-N-(3-ethoxyphenyl)-2-N-methyl-7H-purine-2,6-diamine
CID 114784398
6-N-(pyridin-3-ylmethyl)-8-N-(3,4,5-trimethoxyphenyl)-7H-purine-6,8-diamine
CID 117092412
N-[4-[[2-(pyridin-4-ylamino)-7H-purin-6-yl]amino]phenyl]acetamide
CID 117091693
6-N-(4-fluoro-3-methoxyphenyl)-7H-purine-2,6-diamine
CID 114841178
1-methyl-2-pyridin-3-yl-N-(3,4,5-trimethoxyphenyl)pyrrolo[3,2-c]pyridin-4-amine
CID 71448683
6,7-dimethoxy-2-N-quinolin-6-yl-4-N-(3,4,5-trimethoxyphenyl)quinazoline-2,4-diamine
CID 117085172

Frequently Asked Questions

What is the IUPAC name of 2-N-pyridin-3-yl-6-N-(3,4,5-trimethoxyphenyl)-7H-purine-2,6-diamine?
The IUPAC name of 2-N-pyridin-3-yl-6-N-(3,4,5-trimethoxyphenyl)-7H-purine-2,6-diamine (CID 117087762) is 2-N-pyridin-3-yl-6-N-(3,4,5-trimethoxyphenyl)-7H-purine-2,6-diamine.
What is the SMILES notation for 2-N-pyridin-3-yl-6-N-(3,4,5-trimethoxyphenyl)-7H-purine-2,6-diamine?
The canonical SMILES for 2-N-pyridin-3-yl-6-N-(3,4,5-trimethoxyphenyl)-7H-purine-2,6-diamine is COc1cc(Nc2nc(Nc3cccnc3)nc3nc[nH]c23)cc(OC)c1OC.
What is the InChIKey of 2-N-pyridin-3-yl-6-N-(3,4,5-trimethoxyphenyl)-7H-purine-2,6-diamine?
The InChIKey is OJDBUPIQPCVGKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N7O3/c1-27-13-7-12(8-14(28-2)16(13)29-3)23-18-15-17(22-10-21-15)25-19(26-18)24-11-5-4-6-20-9-11/h4-10H,1-3H3,(H3,21,22,23,24,25,26).
What are the key properties of 2-N-pyridin-3-yl-6-N-(3,4,5-trimethoxyphenyl)-7H-purine-2,6-diamine?
2-N-pyridin-3-yl-6-N-(3,4,5-trimethoxyphenyl)-7H-purine-2,6-diamine has a molecular weight of 393.41 g/mol, XLogP of 3.26, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-pyridin-3-yl-6-N-(3,4,5-trimethoxyphenyl)-7H-purine-2,6-diamine is sourced from PubChem (CID 117087762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).