4-[5-[(2-methoxyethylamino)methyl]-2-[(6-methoxy-3-pyridinyl)amino]-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine

C19H24N8O2 — CID 59548284

IUPAC4-[5-[(2-methoxyethylamino)methyl]-2-[(6-methoxy-3-pyridinyl)amino]-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine
SMILESCOCCNCc1cnc(Nc2ccc(OC)nc2)c(-c2nc(C)nc(N)n2)c1
InChIInChI=1S/C19H24N8O2/c1-12-24-18(27-19(20)25-12)15-8-13(9-21-6-7-28-2)10-23-17(15)26-14-4-5-16(29-3)22-11-14/h4-5,8,10-11,21H,6-7,9H2,1-3H3,(H,23,26)(H2,20,24,25,27)
InChIKeyJRWLTKDVIINVLC-UHFFFAOYSA-N
MW396.46 g/mol
LogP1.71
Rot. Bonds9

About 4-[5-[(2-methoxyethylamino)methyl]-2-[(6-methoxy-3-pyridinyl)amino]-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine

4-[5-[(2-methoxyethylamino)methyl]-2-[(6-methoxy-3-pyridinyl)amino]-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine (PubChem CID 59548284) has the molecular formula C19H24N8O2 and a molecular weight of 396.46 g/mol. Its IUPAC name is 4-[5-[(2-methoxyethylamino)methyl]-2-[(6-methoxy-3-pyridinyl)amino]-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-[5-[(2-methoxyethylamino)methyl]-2-[(6-methoxy-3-pyridinyl)amino]-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine
PubChem CID59548284
Molecular FormulaC19H24N8O2
Molecular Weight396.46 g/mol
Exact Mass396.20
IUPAC Name4-[5-[(2-methoxyethylamino)methyl]-2-[(6-methoxy-3-pyridinyl)amino]-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine
SMILESCOCCNCc1cnc(Nc2ccc(OC)nc2)c(-c2nc(C)nc(N)n2)c1
InChIInChI=1S/C19H24N8O2/c1-12-24-18(27-19(20)25-12)15-8-13(9-21-6-7-28-2)10-23-17(15)26-14-4-5-16(29-3)22-11-14/h4-5,8,10-11,21H,6-7,9H2,1-3H3,(H,23,26)(H2,20,24,25,27)
InChIKeyJRWLTKDVIINVLC-UHFFFAOYSA-N
XLogP1.71
TPSA132.99 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.46
LogP ≤ 51.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[5-[(2-methoxyethylamino)methyl]-2-[(6-methoxy-3-pyridinyl)amino]-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-[5-[(2-methoxyethylamino)methyl]-2-[(6-methoxy-3-pyridinyl)amino]-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine (CID 59548284) is 4-[5-[(2-methoxyethylamino)methyl]-2-[(6-methoxy-3-pyridinyl)amino]-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-[5-[(2-methoxyethylamino)methyl]-2-[(6-methoxy-3-pyridinyl)amino]-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-[5-[(2-methoxyethylamino)methyl]-2-[(6-methoxy-3-pyridinyl)amino]-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine is COCCNCc1cnc(Nc2ccc(OC)nc2)c(-c2nc(C)nc(N)n2)c1.
What is the InChIKey of 4-[5-[(2-methoxyethylamino)methyl]-2-[(6-methoxy-3-pyridinyl)amino]-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine?
The InChIKey is JRWLTKDVIINVLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N8O2/c1-12-24-18(27-19(20)25-12)15-8-13(9-21-6-7-28-2)10-23-17(15)26-14-4-5-16(29-3)22-11-14/h4-5,8,10-11,21H,6-7,9H2,1-3H3,(H,23,26)(H2,20,24,25,27).
What are the key properties of 4-[5-[(2-methoxyethylamino)methyl]-2-[(6-methoxy-3-pyridinyl)amino]-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine?
4-[5-[(2-methoxyethylamino)methyl]-2-[(6-methoxy-3-pyridinyl)amino]-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine has a molecular weight of 396.46 g/mol, XLogP of 1.71, 9 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[(2-methoxyethylamino)methyl]-2-[(6-methoxy-3-pyridinyl)amino]-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 59548284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).