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

C15H14FN7O — CID 59548376

IUPAC4-[2-[(5-fluoro-6-methoxy-3-pyridinyl)amino]-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine
SMILESCOc1ncc(Nc2ncccc2-c2nc(C)nc(N)n2)cc1F
InChIInChI=1S/C15H14FN7O/c1-8-20-13(23-15(17)21-8)10-4-3-5-18-12(10)22-9-6-11(16)14(24-2)19-7-9/h3-7H,1-2H3,(H,18,22)(H2,17,20,21,23)
InChIKeyMSQQWMIPDSCJOT-UHFFFAOYSA-N
MW327.32 g/mol
LogP2.11
Rot. Bonds4

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

4-[2-[(5-fluoro-6-methoxy-3-pyridinyl)amino]-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine (PubChem CID 59548376) has the molecular formula C15H14FN7O and a molecular weight of 327.32 g/mol. Its IUPAC name is 4-[2-[(5-fluoro-6-methoxy-3-pyridinyl)amino]-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-[2-[(5-fluoro-6-methoxy-3-pyridinyl)amino]-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine
PubChem CID59548376
Molecular FormulaC15H14FN7O
Molecular Weight327.32 g/mol
Exact Mass327.12
IUPAC Name4-[2-[(5-fluoro-6-methoxy-3-pyridinyl)amino]-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine
SMILESCOc1ncc(Nc2ncccc2-c2nc(C)nc(N)n2)cc1F
InChIInChI=1S/C15H14FN7O/c1-8-20-13(23-15(17)21-8)10-4-3-5-18-12(10)22-9-6-11(16)14(24-2)19-7-9/h3-7H,1-2H3,(H,18,22)(H2,17,20,21,23)
InChIKeyMSQQWMIPDSCJOT-UHFFFAOYSA-N
XLogP2.11
TPSA111.73 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.32
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[(5-fluoro-6-methoxy-3-pyridinyl)amino]-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-[2-[(5-fluoro-6-methoxy-3-pyridinyl)amino]-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine (CID 59548376) is 4-[2-[(5-fluoro-6-methoxy-3-pyridinyl)amino]-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-[2-[(5-fluoro-6-methoxy-3-pyridinyl)amino]-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-[2-[(5-fluoro-6-methoxy-3-pyridinyl)amino]-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine is COc1ncc(Nc2ncccc2-c2nc(C)nc(N)n2)cc1F.
What is the InChIKey of 4-[2-[(5-fluoro-6-methoxy-3-pyridinyl)amino]-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine?
The InChIKey is MSQQWMIPDSCJOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN7O/c1-8-20-13(23-15(17)21-8)10-4-3-5-18-12(10)22-9-6-11(16)14(24-2)19-7-9/h3-7H,1-2H3,(H,18,22)(H2,17,20,21,23).
What are the key properties of 4-[2-[(5-fluoro-6-methoxy-3-pyridinyl)amino]-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine?
4-[2-[(5-fluoro-6-methoxy-3-pyridinyl)amino]-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine has a molecular weight of 327.32 g/mol, XLogP of 2.11, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(5-fluoro-6-methoxy-3-pyridinyl)amino]-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 59548376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).