2-N,6-N-bis(4-chloro-6-methoxy-1,3,5-triazin-2-yl)pyridine-2,6-diamine

C13H11Cl2N9O2 — CID 102286750

IUPAC2-N,6-N-bis(4-chloro-6-methoxy-1,3,5-triazin-2-yl)pyridine-2,6-diamine
SMILESCOc1nc(Cl)nc(Nc2cccc(Nc3nc(Cl)nc(OC)n3)n2)n1
InChIInChI=1S/C13H11Cl2N9O2/c1-25-12-21-8(14)19-10(23-12)17-6-4-3-5-7(16-6)18-11-20-9(15)22-13(24-11)26-2/h3-5H,1-2H3,(H2,16,17,18,19,20,21,22,23,24)
InChIKeyPRUIEGREOZEMBJ-UHFFFAOYSA-N
MW396.20 g/mol
LogP2.26
Rot. Bonds6

About 2-N,6-N-bis(4-chloro-6-methoxy-1,3,5-triazin-2-yl)pyridine-2,6-diamine

2-N,6-N-bis(4-chloro-6-methoxy-1,3,5-triazin-2-yl)pyridine-2,6-diamine (PubChem CID 102286750) has the molecular formula C13H11Cl2N9O2 and a molecular weight of 396.20 g/mol. Its IUPAC name is 2-N,6-N-bis(4-chloro-6-methoxy-1,3,5-triazin-2-yl)pyridine-2,6-diamine.

Molecular Properties

Compound Name2-N,6-N-bis(4-chloro-6-methoxy-1,3,5-triazin-2-yl)pyridine-2,6-diamine
PubChem CID102286750
Molecular FormulaC13H11Cl2N9O2
Molecular Weight396.20 g/mol
Exact Mass395.04
IUPAC Name2-N,6-N-bis(4-chloro-6-methoxy-1,3,5-triazin-2-yl)pyridine-2,6-diamine
SMILESCOc1nc(Cl)nc(Nc2cccc(Nc3nc(Cl)nc(OC)n3)n2)n1
InChIInChI=1S/C13H11Cl2N9O2/c1-25-12-21-8(14)19-10(23-12)17-6-4-3-5-7(16-6)18-11-20-9(15)22-13(24-11)26-2/h3-5H,1-2H3,(H2,16,17,18,19,20,21,22,23,24)
InChIKeyPRUIEGREOZEMBJ-UHFFFAOYSA-N
XLogP2.26
TPSA132.75 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.20
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

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Frequently Asked Questions

What is the IUPAC name of 2-N,6-N-bis(4-chloro-6-methoxy-1,3,5-triazin-2-yl)pyridine-2,6-diamine?
The IUPAC name of 2-N,6-N-bis(4-chloro-6-methoxy-1,3,5-triazin-2-yl)pyridine-2,6-diamine (CID 102286750) is 2-N,6-N-bis(4-chloro-6-methoxy-1,3,5-triazin-2-yl)pyridine-2,6-diamine.
What is the SMILES notation for 2-N,6-N-bis(4-chloro-6-methoxy-1,3,5-triazin-2-yl)pyridine-2,6-diamine?
The canonical SMILES for 2-N,6-N-bis(4-chloro-6-methoxy-1,3,5-triazin-2-yl)pyridine-2,6-diamine is COc1nc(Cl)nc(Nc2cccc(Nc3nc(Cl)nc(OC)n3)n2)n1.
What is the InChIKey of 2-N,6-N-bis(4-chloro-6-methoxy-1,3,5-triazin-2-yl)pyridine-2,6-diamine?
The InChIKey is PRUIEGREOZEMBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2N9O2/c1-25-12-21-8(14)19-10(23-12)17-6-4-3-5-7(16-6)18-11-20-9(15)22-13(24-11)26-2/h3-5H,1-2H3,(H2,16,17,18,19,20,21,22,23,24).
What are the key properties of 2-N,6-N-bis(4-chloro-6-methoxy-1,3,5-triazin-2-yl)pyridine-2,6-diamine?
2-N,6-N-bis(4-chloro-6-methoxy-1,3,5-triazin-2-yl)pyridine-2,6-diamine has a molecular weight of 396.20 g/mol, XLogP of 2.26, 6 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,6-N-bis(4-chloro-6-methoxy-1,3,5-triazin-2-yl)pyridine-2,6-diamine is sourced from PubChem (CID 102286750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).