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

C20H23FN8O2 — CID 59548442

IUPAC4-[2-[(5-fluoro-6-methoxy-3-pyridinyl)amino]-6-(morpholin-4-ylmethyl)-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine
SMILESCOc1ncc(Nc2nc(CN3CCOCC3)ccc2-c2nc(C)nc(N)n2)cc1F
InChIInChI=1S/C20H23FN8O2/c1-12-24-17(28-20(22)25-12)15-4-3-13(11-29-5-7-31-8-6-29)26-18(15)27-14-9-16(21)19(30-2)23-10-14/h3-4,9-10H,5-8,11H2,1-2H3,(H,26,27)(H2,22,24,25,28)
InChIKeyIKLPBTLNWPASJU-UHFFFAOYSA-N
MW426.46 g/mol
LogP1.94
Rot. Bonds6

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

4-[2-[(5-fluoro-6-methoxy-3-pyridinyl)amino]-6-(morpholin-4-ylmethyl)-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine (PubChem CID 59548442) has the molecular formula C20H23FN8O2 and a molecular weight of 426.46 g/mol. Its IUPAC name is 4-[2-[(5-fluoro-6-methoxy-3-pyridinyl)amino]-6-(morpholin-4-ylmethyl)-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-[2-[(5-fluoro-6-methoxy-3-pyridinyl)amino]-6-(morpholin-4-ylmethyl)-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine
PubChem CID59548442
Molecular FormulaC20H23FN8O2
Molecular Weight426.46 g/mol
Exact Mass426.19
IUPAC Name4-[2-[(5-fluoro-6-methoxy-3-pyridinyl)amino]-6-(morpholin-4-ylmethyl)-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine
SMILESCOc1ncc(Nc2nc(CN3CCOCC3)ccc2-c2nc(C)nc(N)n2)cc1F
InChIInChI=1S/C20H23FN8O2/c1-12-24-17(28-20(22)25-12)15-4-3-13(11-29-5-7-31-8-6-29)26-18(15)27-14-9-16(21)19(30-2)23-10-14/h3-4,9-10H,5-8,11H2,1-2H3,(H,26,27)(H2,22,24,25,28)
InChIKeyIKLPBTLNWPASJU-UHFFFAOYSA-N
XLogP1.94
TPSA124.20 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.46
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[(5-fluoro-6-methoxy-3-pyridinyl)amino]-6-(morpholin-4-ylmethyl)-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-[2-[(5-fluoro-6-methoxy-3-pyridinyl)amino]-6-(morpholin-4-ylmethyl)-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine (CID 59548442) is 4-[2-[(5-fluoro-6-methoxy-3-pyridinyl)amino]-6-(morpholin-4-ylmethyl)-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]-6-(morpholin-4-ylmethyl)-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-[2-[(5-fluoro-6-methoxy-3-pyridinyl)amino]-6-(morpholin-4-ylmethyl)-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine is COc1ncc(Nc2nc(CN3CCOCC3)ccc2-c2nc(C)nc(N)n2)cc1F.
What is the InChIKey of 4-[2-[(5-fluoro-6-methoxy-3-pyridinyl)amino]-6-(morpholin-4-ylmethyl)-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine?
The InChIKey is IKLPBTLNWPASJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN8O2/c1-12-24-17(28-20(22)25-12)15-4-3-13(11-29-5-7-31-8-6-29)26-18(15)27-14-9-16(21)19(30-2)23-10-14/h3-4,9-10H,5-8,11H2,1-2H3,(H,26,27)(H2,22,24,25,28).
What are the key properties of 4-[2-[(5-fluoro-6-methoxy-3-pyridinyl)amino]-6-(morpholin-4-ylmethyl)-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine?
4-[2-[(5-fluoro-6-methoxy-3-pyridinyl)amino]-6-(morpholin-4-ylmethyl)-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine has a molecular weight of 426.46 g/mol, XLogP of 1.94, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(5-fluoro-6-methoxy-3-pyridinyl)amino]-6-(morpholin-4-ylmethyl)-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 59548442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).