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

C25H24N8O2 — CID 59548168

IUPAC5-N-[(4-methoxyphenyl)methyl]-2-N-(6-methoxy-3-pyridinyl)-3-(2-methyl-7H-purin-6-yl)pyridine-2,5-diamine
SMILESCOc1ccc(CNc2cnc(Nc3ccc(OC)nc3)c(-c3nc(C)nc4nc[nH]c34)c2)cc1
InChIInChI=1S/C25H24N8O2/c1-15-31-22(23-25(32-15)30-14-29-23)20-10-18(26-11-16-4-7-19(34-2)8-5-16)13-28-24(20)33-17-6-9-21(35-3)27-12-17/h4-10,12-14,26H,11H2,1-3H3,(H,28,33)(H,29,30,31,32)
InChIKeyMINOEZMSPDGNII-UHFFFAOYSA-N
MW468.52 g/mol
LogP4.49
Rot. Bonds8

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

5-N-[(4-methoxyphenyl)methyl]-2-N-(6-methoxy-3-pyridinyl)-3-(2-methyl-7H-purin-6-yl)pyridine-2,5-diamine (PubChem CID 59548168) has the molecular formula C25H24N8O2 and a molecular weight of 468.52 g/mol. Its IUPAC name is 5-N-[(4-methoxyphenyl)methyl]-2-N-(6-methoxy-3-pyridinyl)-3-(2-methyl-7H-purin-6-yl)pyridine-2,5-diamine.

Molecular Properties

Compound Name5-N-[(4-methoxyphenyl)methyl]-2-N-(6-methoxy-3-pyridinyl)-3-(2-methyl-7H-purin-6-yl)pyridine-2,5-diamine
PubChem CID59548168
Molecular FormulaC25H24N8O2
Molecular Weight468.52 g/mol
Exact Mass468.20
IUPAC Name5-N-[(4-methoxyphenyl)methyl]-2-N-(6-methoxy-3-pyridinyl)-3-(2-methyl-7H-purin-6-yl)pyridine-2,5-diamine
SMILESCOc1ccc(CNc2cnc(Nc3ccc(OC)nc3)c(-c3nc(C)nc4nc[nH]c34)c2)cc1
InChIInChI=1S/C25H24N8O2/c1-15-31-22(23-25(32-15)30-14-29-23)20-10-18(26-11-16-4-7-19(34-2)8-5-16)13-28-24(20)33-17-6-9-21(35-3)27-12-17/h4-10,12-14,26H,11H2,1-3H3,(H,28,33)(H,29,30,31,32)
InChIKeyMINOEZMSPDGNII-UHFFFAOYSA-N
XLogP4.49
TPSA122.76 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.52
LogP ≤ 54.49
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)methyl]-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)methyl]-2-N-(6-methoxy-3-pyridinyl)-3-(2-methyl-7H-purin-6-yl)pyridine-2,5-diamine (CID 59548168) is 5-N-[(4-methoxyphenyl)methyl]-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)methyl]-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)methyl]-2-N-(6-methoxy-3-pyridinyl)-3-(2-methyl-7H-purin-6-yl)pyridine-2,5-diamine is COc1ccc(CNc2cnc(Nc3ccc(OC)nc3)c(-c3nc(C)nc4nc[nH]c34)c2)cc1.
What is the InChIKey of 5-N-[(4-methoxyphenyl)methyl]-2-N-(6-methoxy-3-pyridinyl)-3-(2-methyl-7H-purin-6-yl)pyridine-2,5-diamine?
The InChIKey is MINOEZMSPDGNII-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N8O2/c1-15-31-22(23-25(32-15)30-14-29-23)20-10-18(26-11-16-4-7-19(34-2)8-5-16)13-28-24(20)33-17-6-9-21(35-3)27-12-17/h4-10,12-14,26H,11H2,1-3H3,(H,28,33)(H,29,30,31,32).
What are the key properties of 5-N-[(4-methoxyphenyl)methyl]-2-N-(6-methoxy-3-pyridinyl)-3-(2-methyl-7H-purin-6-yl)pyridine-2,5-diamine?
5-N-[(4-methoxyphenyl)methyl]-2-N-(6-methoxy-3-pyridinyl)-3-(2-methyl-7H-purin-6-yl)pyridine-2,5-diamine has a molecular weight of 468.52 g/mol, XLogP of 4.49, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[(4-methoxyphenyl)methyl]-2-N-(6-methoxy-3-pyridinyl)-3-(2-methyl-7H-purin-6-yl)pyridine-2,5-diamine is sourced from PubChem (CID 59548168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).