N-(6-methoxy-3-pyridinyl)-3-(2-methyl-7H-purin-6-yl)pyridin-2-amine

C17H15N7O — CID 59548383

IUPACN-(6-methoxy-3-pyridinyl)-3-(2-methyl-7H-purin-6-yl)pyridin-2-amine
SMILESCOc1ccc(Nc2ncccc2-c2nc(C)nc3nc[nH]c23)cn1
InChIInChI=1S/C17H15N7O/c1-10-22-14(15-17(23-10)21-9-20-15)12-4-3-7-18-16(12)24-11-5-6-13(25-2)19-8-11/h3-9H,1-2H3,(H,18,24)(H,20,21,22,23)
InChIKeyYXRVSHHKBCULEI-UHFFFAOYSA-N
MW333.36 g/mol
LogP2.87
Rot. Bonds4

About N-(6-methoxy-3-pyridinyl)-3-(2-methyl-7H-purin-6-yl)pyridin-2-amine

N-(6-methoxy-3-pyridinyl)-3-(2-methyl-7H-purin-6-yl)pyridin-2-amine (PubChem CID 59548383) has the molecular formula C17H15N7O and a molecular weight of 333.36 g/mol. Its IUPAC name is N-(6-methoxy-3-pyridinyl)-3-(2-methyl-7H-purin-6-yl)pyridin-2-amine.

Molecular Properties

Compound NameN-(6-methoxy-3-pyridinyl)-3-(2-methyl-7H-purin-6-yl)pyridin-2-amine
PubChem CID59548383
Molecular FormulaC17H15N7O
Molecular Weight333.36 g/mol
Exact Mass333.13
IUPAC NameN-(6-methoxy-3-pyridinyl)-3-(2-methyl-7H-purin-6-yl)pyridin-2-amine
SMILESCOc1ccc(Nc2ncccc2-c2nc(C)nc3nc[nH]c23)cn1
InChIInChI=1S/C17H15N7O/c1-10-22-14(15-17(23-10)21-9-20-15)12-4-3-7-18-16(12)24-11-5-6-13(25-2)19-8-11/h3-9H,1-2H3,(H,18,24)(H,20,21,22,23)
InChIKeyYXRVSHHKBCULEI-UHFFFAOYSA-N
XLogP2.87
TPSA101.50 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.36
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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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)pyridin-2-amine?
The IUPAC name of N-(6-methoxy-3-pyridinyl)-3-(2-methyl-7H-purin-6-yl)pyridin-2-amine (CID 59548383) is N-(6-methoxy-3-pyridinyl)-3-(2-methyl-7H-purin-6-yl)pyridin-2-amine.
What is the SMILES notation for N-(6-methoxy-3-pyridinyl)-3-(2-methyl-7H-purin-6-yl)pyridin-2-amine?
The canonical SMILES for N-(6-methoxy-3-pyridinyl)-3-(2-methyl-7H-purin-6-yl)pyridin-2-amine is COc1ccc(Nc2ncccc2-c2nc(C)nc3nc[nH]c23)cn1.
What is the InChIKey of N-(6-methoxy-3-pyridinyl)-3-(2-methyl-7H-purin-6-yl)pyridin-2-amine?
The InChIKey is YXRVSHHKBCULEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N7O/c1-10-22-14(15-17(23-10)21-9-20-15)12-4-3-7-18-16(12)24-11-5-6-13(25-2)19-8-11/h3-9H,1-2H3,(H,18,24)(H,20,21,22,23).
What are the key properties of N-(6-methoxy-3-pyridinyl)-3-(2-methyl-7H-purin-6-yl)pyridin-2-amine?
N-(6-methoxy-3-pyridinyl)-3-(2-methyl-7H-purin-6-yl)pyridin-2-amine has a molecular weight of 333.36 g/mol, XLogP of 2.87, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methoxy-3-pyridinyl)-3-(2-methyl-7H-purin-6-yl)pyridin-2-amine is sourced from PubChem (CID 59548383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).