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

C16H13N7O — CID 59548232

IUPACN-(6-methoxy-3-pyridinyl)-3-(7H-purin-6-yl)pyridin-2-amine
SMILESCOc1ccc(Nc2ncccc2-c2ncnc3nc[nH]c23)cn1
InChIInChI=1S/C16H13N7O/c1-24-12-5-4-10(7-18-12)23-15-11(3-2-6-17-15)13-14-16(21-8-19-13)22-9-20-14/h2-9H,1H3,(H,17,23)(H,19,20,21,22)
InChIKeyUFWMPADLCCNCKA-UHFFFAOYSA-N
MW319.33 g/mol
LogP2.56
Rot. Bonds4

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

N-(6-methoxy-3-pyridinyl)-3-(7H-purin-6-yl)pyridin-2-amine (PubChem CID 59548232) has the molecular formula C16H13N7O and a molecular weight of 319.33 g/mol. Its IUPAC name is N-(6-methoxy-3-pyridinyl)-3-(7H-purin-6-yl)pyridin-2-amine.

Molecular Properties

Compound NameN-(6-methoxy-3-pyridinyl)-3-(7H-purin-6-yl)pyridin-2-amine
PubChem CID59548232
Molecular FormulaC16H13N7O
Molecular Weight319.33 g/mol
Exact Mass319.12
IUPAC NameN-(6-methoxy-3-pyridinyl)-3-(7H-purin-6-yl)pyridin-2-amine
SMILESCOc1ccc(Nc2ncccc2-c2ncnc3nc[nH]c23)cn1
InChIInChI=1S/C16H13N7O/c1-24-12-5-4-10(7-18-12)23-15-11(3-2-6-17-15)13-14-16(21-8-19-13)22-9-20-14/h2-9H,1H3,(H,17,23)(H,19,20,21,22)
InChIKeyUFWMPADLCCNCKA-UHFFFAOYSA-N
XLogP2.56
TPSA101.50 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.33
LogP ≤ 52.56
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-(7H-purin-6-yl)pyridin-2-amine?
The IUPAC name of N-(6-methoxy-3-pyridinyl)-3-(7H-purin-6-yl)pyridin-2-amine (CID 59548232) is N-(6-methoxy-3-pyridinyl)-3-(7H-purin-6-yl)pyridin-2-amine.
What is the SMILES notation for N-(6-methoxy-3-pyridinyl)-3-(7H-purin-6-yl)pyridin-2-amine?
The canonical SMILES for N-(6-methoxy-3-pyridinyl)-3-(7H-purin-6-yl)pyridin-2-amine is COc1ccc(Nc2ncccc2-c2ncnc3nc[nH]c23)cn1.
What is the InChIKey of N-(6-methoxy-3-pyridinyl)-3-(7H-purin-6-yl)pyridin-2-amine?
The InChIKey is UFWMPADLCCNCKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N7O/c1-24-12-5-4-10(7-18-12)23-15-11(3-2-6-17-15)13-14-16(21-8-19-13)22-9-20-14/h2-9H,1H3,(H,17,23)(H,19,20,21,22).
What are the key properties of N-(6-methoxy-3-pyridinyl)-3-(7H-purin-6-yl)pyridin-2-amine?
N-(6-methoxy-3-pyridinyl)-3-(7H-purin-6-yl)pyridin-2-amine has a molecular weight of 319.33 g/mol, XLogP of 2.56, 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-(7H-purin-6-yl)pyridin-2-amine is sourced from PubChem (CID 59548232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).