5-N-[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-2-pyridinyl]-2-chloropyridine-3,5-diamine

C14H13ClN8 — CID 59548308

IUPAC5-N-[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-2-pyridinyl]-2-chloropyridine-3,5-diamine
SMILESCc1nc(N)nc(-c2cccnc2Nc2cnc(Cl)c(N)c2)n1
InChIInChI=1S/C14H13ClN8/c1-7-20-13(23-14(17)21-7)9-3-2-4-18-12(9)22-8-5-10(16)11(15)19-6-8/h2-6H,16H2,1H3,(H,18,22)(H2,17,20,21,23)
InChIKeyOZAVYIVPURAMCC-UHFFFAOYSA-N
MW328.77 g/mol
LogP2.20
Rot. Bonds3

About 5-N-[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-2-pyridinyl]-2-chloropyridine-3,5-diamine

5-N-[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-2-pyridinyl]-2-chloropyridine-3,5-diamine (PubChem CID 59548308) has the molecular formula C14H13ClN8 and a molecular weight of 328.77 g/mol. Its IUPAC name is 5-N-[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-2-pyridinyl]-2-chloropyridine-3,5-diamine.

Molecular Properties

Compound Name5-N-[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-2-pyridinyl]-2-chloropyridine-3,5-diamine
PubChem CID59548308
Molecular FormulaC14H13ClN8
Molecular Weight328.77 g/mol
Exact Mass328.10
IUPAC Name5-N-[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-2-pyridinyl]-2-chloropyridine-3,5-diamine
SMILESCc1nc(N)nc(-c2cccnc2Nc2cnc(Cl)c(N)c2)n1
InChIInChI=1S/C14H13ClN8/c1-7-20-13(23-14(17)21-7)9-3-2-4-18-12(9)22-8-5-10(16)11(15)19-6-8/h2-6H,16H2,1H3,(H,18,22)(H2,17,20,21,23)
InChIKeyOZAVYIVPURAMCC-UHFFFAOYSA-N
XLogP2.20
TPSA128.52 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.77
LogP ≤ 52.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-N-[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-2-pyridinyl]-2-chloropyridine-3,5-diamine?
The IUPAC name of 5-N-[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-2-pyridinyl]-2-chloropyridine-3,5-diamine (CID 59548308) is 5-N-[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-2-pyridinyl]-2-chloropyridine-3,5-diamine.
What is the SMILES notation for 5-N-[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-2-pyridinyl]-2-chloropyridine-3,5-diamine?
The canonical SMILES for 5-N-[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-2-pyridinyl]-2-chloropyridine-3,5-diamine is Cc1nc(N)nc(-c2cccnc2Nc2cnc(Cl)c(N)c2)n1.
What is the InChIKey of 5-N-[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-2-pyridinyl]-2-chloropyridine-3,5-diamine?
The InChIKey is OZAVYIVPURAMCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN8/c1-7-20-13(23-14(17)21-7)9-3-2-4-18-12(9)22-8-5-10(16)11(15)19-6-8/h2-6H,16H2,1H3,(H,18,22)(H2,17,20,21,23).
What are the key properties of 5-N-[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-2-pyridinyl]-2-chloropyridine-3,5-diamine?
5-N-[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-2-pyridinyl]-2-chloropyridine-3,5-diamine has a molecular weight of 328.77 g/mol, XLogP of 2.20, 3 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-2-pyridinyl]-2-chloropyridine-3,5-diamine is sourced from PubChem (CID 59548308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).