N-(6-methoxy-3-pyridinyl)-3-(2-methyl-7H-purin-6-yl)-5-[(pyridin-4-ylmethylamino)methyl]pyridin-2-amine

C24H23N9O — CID 59548163

IUPACN-(6-methoxy-3-pyridinyl)-3-(2-methyl-7H-purin-6-yl)-5-[(pyridin-4-ylmethylamino)methyl]pyridin-2-amine
SMILESCOc1ccc(Nc2ncc(CNCc3ccncc3)cc2-c2nc(C)nc3nc[nH]c23)cn1
InChIInChI=1S/C24H23N9O/c1-15-31-21(22-24(32-15)30-14-29-22)19-9-17(11-26-10-16-5-7-25-8-6-16)12-28-23(19)33-18-3-4-20(34-2)27-13-18/h3-9,12-14,26H,10-11H2,1-2H3,(H,28,33)(H,29,30,31,32)
InChIKeyCGHHVNHKZZJYBO-UHFFFAOYSA-N
MW453.51 g/mol
LogP3.56
Rot. Bonds8

About N-(6-methoxy-3-pyridinyl)-3-(2-methyl-7H-purin-6-yl)-5-[(pyridin-4-ylmethylamino)methyl]pyridin-2-amine

N-(6-methoxy-3-pyridinyl)-3-(2-methyl-7H-purin-6-yl)-5-[(pyridin-4-ylmethylamino)methyl]pyridin-2-amine (PubChem CID 59548163) has the molecular formula C24H23N9O and a molecular weight of 453.51 g/mol. Its IUPAC name is N-(6-methoxy-3-pyridinyl)-3-(2-methyl-7H-purin-6-yl)-5-[(pyridin-4-ylmethylamino)methyl]pyridin-2-amine.

Molecular Properties

Compound NameN-(6-methoxy-3-pyridinyl)-3-(2-methyl-7H-purin-6-yl)-5-[(pyridin-4-ylmethylamino)methyl]pyridin-2-amine
PubChem CID59548163
Molecular FormulaC24H23N9O
Molecular Weight453.51 g/mol
Exact Mass453.20
IUPAC NameN-(6-methoxy-3-pyridinyl)-3-(2-methyl-7H-purin-6-yl)-5-[(pyridin-4-ylmethylamino)methyl]pyridin-2-amine
SMILESCOc1ccc(Nc2ncc(CNCc3ccncc3)cc2-c2nc(C)nc3nc[nH]c23)cn1
InChIInChI=1S/C24H23N9O/c1-15-31-21(22-24(32-15)30-14-29-22)19-9-17(11-26-10-16-5-7-25-8-6-16)12-28-23(19)33-18-3-4-20(34-2)27-13-18/h3-9,12-14,26H,10-11H2,1-2H3,(H,28,33)(H,29,30,31,32)
InChIKeyCGHHVNHKZZJYBO-UHFFFAOYSA-N
XLogP3.56
TPSA126.42 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.51
LogP ≤ 53.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-(6-methoxy-3-pyridinyl)-3-(2-methyl-7H-purin-6-yl)-5-[(pyridin-4-ylmethylamino)methyl]pyridin-2-amine?
The IUPAC name of N-(6-methoxy-3-pyridinyl)-3-(2-methyl-7H-purin-6-yl)-5-[(pyridin-4-ylmethylamino)methyl]pyridin-2-amine (CID 59548163) is N-(6-methoxy-3-pyridinyl)-3-(2-methyl-7H-purin-6-yl)-5-[(pyridin-4-ylmethylamino)methyl]pyridin-2-amine.
What is the SMILES notation for N-(6-methoxy-3-pyridinyl)-3-(2-methyl-7H-purin-6-yl)-5-[(pyridin-4-ylmethylamino)methyl]pyridin-2-amine?
The canonical SMILES for N-(6-methoxy-3-pyridinyl)-3-(2-methyl-7H-purin-6-yl)-5-[(pyridin-4-ylmethylamino)methyl]pyridin-2-amine is COc1ccc(Nc2ncc(CNCc3ccncc3)cc2-c2nc(C)nc3nc[nH]c23)cn1.
What is the InChIKey of N-(6-methoxy-3-pyridinyl)-3-(2-methyl-7H-purin-6-yl)-5-[(pyridin-4-ylmethylamino)methyl]pyridin-2-amine?
The InChIKey is CGHHVNHKZZJYBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N9O/c1-15-31-21(22-24(32-15)30-14-29-22)19-9-17(11-26-10-16-5-7-25-8-6-16)12-28-23(19)33-18-3-4-20(34-2)27-13-18/h3-9,12-14,26H,10-11H2,1-2H3,(H,28,33)(H,29,30,31,32).
What are the key properties of N-(6-methoxy-3-pyridinyl)-3-(2-methyl-7H-purin-6-yl)-5-[(pyridin-4-ylmethylamino)methyl]pyridin-2-amine?
N-(6-methoxy-3-pyridinyl)-3-(2-methyl-7H-purin-6-yl)-5-[(pyridin-4-ylmethylamino)methyl]pyridin-2-amine has a molecular weight of 453.51 g/mol, XLogP of 3.56, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methoxy-3-pyridinyl)-3-(2-methyl-7H-purin-6-yl)-5-[(pyridin-4-ylmethylamino)methyl]pyridin-2-amine is sourced from PubChem (CID 59548163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).