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

C16H17N7O — CID 59548226

IUPAC4-[2-[(6-methoxy-3-pyridinyl)amino]-5-methyl-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine
SMILESCOc1ccc(Nc2ncc(C)cc2-c2nc(C)nc(N)n2)cn1
InChIInChI=1S/C16H17N7O/c1-9-6-12(15-20-10(2)21-16(17)23-15)14(19-7-9)22-11-4-5-13(24-3)18-8-11/h4-8H,1-3H3,(H,19,22)(H2,17,20,21,23)
InChIKeySZCHCSAKGOOKBA-UHFFFAOYSA-N
MW323.36 g/mol
LogP2.28
Rot. Bonds4

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

4-[2-[(6-methoxy-3-pyridinyl)amino]-5-methyl-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine (PubChem CID 59548226) has the molecular formula C16H17N7O and a molecular weight of 323.36 g/mol. Its IUPAC name is 4-[2-[(6-methoxy-3-pyridinyl)amino]-5-methyl-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-[2-[(6-methoxy-3-pyridinyl)amino]-5-methyl-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine
PubChem CID59548226
Molecular FormulaC16H17N7O
Molecular Weight323.36 g/mol
Exact Mass323.15
IUPAC Name4-[2-[(6-methoxy-3-pyridinyl)amino]-5-methyl-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine
SMILESCOc1ccc(Nc2ncc(C)cc2-c2nc(C)nc(N)n2)cn1
InChIInChI=1S/C16H17N7O/c1-9-6-12(15-20-10(2)21-16(17)23-15)14(19-7-9)22-11-4-5-13(24-3)18-8-11/h4-8H,1-3H3,(H,19,22)(H2,17,20,21,23)
InChIKeySZCHCSAKGOOKBA-UHFFFAOYSA-N
XLogP2.28
TPSA111.73 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.36
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[(6-methoxy-3-pyridinyl)amino]-5-methyl-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-[2-[(6-methoxy-3-pyridinyl)amino]-5-methyl-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine (CID 59548226) is 4-[2-[(6-methoxy-3-pyridinyl)amino]-5-methyl-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-[2-[(6-methoxy-3-pyridinyl)amino]-5-methyl-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-[2-[(6-methoxy-3-pyridinyl)amino]-5-methyl-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine is COc1ccc(Nc2ncc(C)cc2-c2nc(C)nc(N)n2)cn1.
What is the InChIKey of 4-[2-[(6-methoxy-3-pyridinyl)amino]-5-methyl-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine?
The InChIKey is SZCHCSAKGOOKBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N7O/c1-9-6-12(15-20-10(2)21-16(17)23-15)14(19-7-9)22-11-4-5-13(24-3)18-8-11/h4-8H,1-3H3,(H,19,22)(H2,17,20,21,23).
What are the key properties of 4-[2-[(6-methoxy-3-pyridinyl)amino]-5-methyl-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine?
4-[2-[(6-methoxy-3-pyridinyl)amino]-5-methyl-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine has a molecular weight of 323.36 g/mol, XLogP of 2.28, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(6-methoxy-3-pyridinyl)amino]-5-methyl-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 59548226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).