5-N-(4-methoxyphenyl)-2-N-(6-methoxy-3-pyridinyl)-3-(2-methyl-7H-purin-6-yl)pyridine-2,5-diamine

C24H22N8O2 — CID 59548363

IUPAC5-N-(4-methoxyphenyl)-2-N-(6-methoxy-3-pyridinyl)-3-(2-methyl-7H-purin-6-yl)pyridine-2,5-diamine
SMILESCOc1ccc(Nc2cnc(Nc3ccc(OC)nc3)c(-c3nc(C)nc4nc[nH]c34)c2)cc1
InChIInChI=1S/C24H22N8O2/c1-14-29-21(22-24(30-14)28-13-27-22)19-10-17(31-15-4-7-18(33-2)8-5-15)12-26-23(19)32-16-6-9-20(34-3)25-11-16/h4-13,31H,1-3H3,(H,26,32)(H,27,28,29,30)
InChIKeyYCUCXAGZUOMXSI-UHFFFAOYSA-N
MW454.49 g/mol
LogP4.62
Rot. Bonds7

About 5-N-(4-methoxyphenyl)-2-N-(6-methoxy-3-pyridinyl)-3-(2-methyl-7H-purin-6-yl)pyridine-2,5-diamine

5-N-(4-methoxyphenyl)-2-N-(6-methoxy-3-pyridinyl)-3-(2-methyl-7H-purin-6-yl)pyridine-2,5-diamine (PubChem CID 59548363) has the molecular formula C24H22N8O2 and a molecular weight of 454.49 g/mol. Its IUPAC name is 5-N-(4-methoxyphenyl)-2-N-(6-methoxy-3-pyridinyl)-3-(2-methyl-7H-purin-6-yl)pyridine-2,5-diamine.

Molecular Properties

Compound Name5-N-(4-methoxyphenyl)-2-N-(6-methoxy-3-pyridinyl)-3-(2-methyl-7H-purin-6-yl)pyridine-2,5-diamine
PubChem CID59548363
Molecular FormulaC24H22N8O2
Molecular Weight454.49 g/mol
Exact Mass454.19
IUPAC Name5-N-(4-methoxyphenyl)-2-N-(6-methoxy-3-pyridinyl)-3-(2-methyl-7H-purin-6-yl)pyridine-2,5-diamine
SMILESCOc1ccc(Nc2cnc(Nc3ccc(OC)nc3)c(-c3nc(C)nc4nc[nH]c34)c2)cc1
InChIInChI=1S/C24H22N8O2/c1-14-29-21(22-24(30-14)28-13-27-22)19-10-17(31-15-4-7-18(33-2)8-5-15)12-26-23(19)32-16-6-9-20(34-3)25-11-16/h4-13,31H,1-3H3,(H,26,32)(H,27,28,29,30)
InChIKeyYCUCXAGZUOMXSI-UHFFFAOYSA-N
XLogP4.62
TPSA122.76 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.49
LogP ≤ 54.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-N-(4-methoxyphenyl)-2-N-(6-methoxy-3-pyridinyl)-3-(2-methyl-7H-purin-6-yl)pyridine-2,5-diamine?
The IUPAC name of 5-N-(4-methoxyphenyl)-2-N-(6-methoxy-3-pyridinyl)-3-(2-methyl-7H-purin-6-yl)pyridine-2,5-diamine (CID 59548363) is 5-N-(4-methoxyphenyl)-2-N-(6-methoxy-3-pyridinyl)-3-(2-methyl-7H-purin-6-yl)pyridine-2,5-diamine.
What is the SMILES notation for 5-N-(4-methoxyphenyl)-2-N-(6-methoxy-3-pyridinyl)-3-(2-methyl-7H-purin-6-yl)pyridine-2,5-diamine?
The canonical SMILES for 5-N-(4-methoxyphenyl)-2-N-(6-methoxy-3-pyridinyl)-3-(2-methyl-7H-purin-6-yl)pyridine-2,5-diamine is COc1ccc(Nc2cnc(Nc3ccc(OC)nc3)c(-c3nc(C)nc4nc[nH]c34)c2)cc1.
What is the InChIKey of 5-N-(4-methoxyphenyl)-2-N-(6-methoxy-3-pyridinyl)-3-(2-methyl-7H-purin-6-yl)pyridine-2,5-diamine?
The InChIKey is YCUCXAGZUOMXSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N8O2/c1-14-29-21(22-24(30-14)28-13-27-22)19-10-17(31-15-4-7-18(33-2)8-5-15)12-26-23(19)32-16-6-9-20(34-3)25-11-16/h4-13,31H,1-3H3,(H,26,32)(H,27,28,29,30).
What are the key properties of 5-N-(4-methoxyphenyl)-2-N-(6-methoxy-3-pyridinyl)-3-(2-methyl-7H-purin-6-yl)pyridine-2,5-diamine?
5-N-(4-methoxyphenyl)-2-N-(6-methoxy-3-pyridinyl)-3-(2-methyl-7H-purin-6-yl)pyridine-2,5-diamine has a molecular weight of 454.49 g/mol, XLogP of 4.62, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(4-methoxyphenyl)-2-N-(6-methoxy-3-pyridinyl)-3-(2-methyl-7H-purin-6-yl)pyridine-2,5-diamine is sourced from PubChem (CID 59548363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).