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

C18H20FN7O2 — CID 59548463

IUPAC2-[5-(4-amino-6-methyl-1,3,5-triazin-2-yl)-6-[(5-fluoro-6-methoxy-3-pyridinyl)amino]-3-pyridinyl]propan-2-ol
SMILESCOc1ncc(Nc2ncc(C(C)(C)O)cc2-c2nc(C)nc(N)n2)cc1F
InChIInChI=1S/C18H20FN7O2/c1-9-23-15(26-17(20)24-9)12-5-10(18(2,3)27)7-21-14(12)25-11-6-13(19)16(28-4)22-8-11/h5-8,27H,1-4H3,(H,21,25)(H2,20,23,24,26)
InChIKeyJTIBGKGGRQKKJP-UHFFFAOYSA-N
MW385.40 g/mol
LogP2.34
Rot. Bonds5

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

2-[5-(4-amino-6-methyl-1,3,5-triazin-2-yl)-6-[(5-fluoro-6-methoxy-3-pyridinyl)amino]-3-pyridinyl]propan-2-ol (PubChem CID 59548463) has the molecular formula C18H20FN7O2 and a molecular weight of 385.40 g/mol. Its IUPAC name is 2-[5-(4-amino-6-methyl-1,3,5-triazin-2-yl)-6-[(5-fluoro-6-methoxy-3-pyridinyl)amino]-3-pyridinyl]propan-2-ol.

Molecular Properties

Compound Name2-[5-(4-amino-6-methyl-1,3,5-triazin-2-yl)-6-[(5-fluoro-6-methoxy-3-pyridinyl)amino]-3-pyridinyl]propan-2-ol
PubChem CID59548463
Molecular FormulaC18H20FN7O2
Molecular Weight385.40 g/mol
Exact Mass385.17
IUPAC Name2-[5-(4-amino-6-methyl-1,3,5-triazin-2-yl)-6-[(5-fluoro-6-methoxy-3-pyridinyl)amino]-3-pyridinyl]propan-2-ol
SMILESCOc1ncc(Nc2ncc(C(C)(C)O)cc2-c2nc(C)nc(N)n2)cc1F
InChIInChI=1S/C18H20FN7O2/c1-9-23-15(26-17(20)24-9)12-5-10(18(2,3)27)7-21-14(12)25-11-6-13(19)16(28-4)22-8-11/h5-8,27H,1-4H3,(H,21,25)(H2,20,23,24,26)
InChIKeyJTIBGKGGRQKKJP-UHFFFAOYSA-N
XLogP2.34
TPSA131.96 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.40
LogP ≤ 52.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-amino-6-methyl-1,3,5-triazin-2-yl)-6-[(5-fluoro-6-methoxy-3-pyridinyl)amino]-3-pyridinyl]propan-2-ol?
The IUPAC name of 2-[5-(4-amino-6-methyl-1,3,5-triazin-2-yl)-6-[(5-fluoro-6-methoxy-3-pyridinyl)amino]-3-pyridinyl]propan-2-ol (CID 59548463) is 2-[5-(4-amino-6-methyl-1,3,5-triazin-2-yl)-6-[(5-fluoro-6-methoxy-3-pyridinyl)amino]-3-pyridinyl]propan-2-ol.
What is the SMILES notation for 2-[5-(4-amino-6-methyl-1,3,5-triazin-2-yl)-6-[(5-fluoro-6-methoxy-3-pyridinyl)amino]-3-pyridinyl]propan-2-ol?
The canonical SMILES for 2-[5-(4-amino-6-methyl-1,3,5-triazin-2-yl)-6-[(5-fluoro-6-methoxy-3-pyridinyl)amino]-3-pyridinyl]propan-2-ol is COc1ncc(Nc2ncc(C(C)(C)O)cc2-c2nc(C)nc(N)n2)cc1F.
What is the InChIKey of 2-[5-(4-amino-6-methyl-1,3,5-triazin-2-yl)-6-[(5-fluoro-6-methoxy-3-pyridinyl)amino]-3-pyridinyl]propan-2-ol?
The InChIKey is JTIBGKGGRQKKJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN7O2/c1-9-23-15(26-17(20)24-9)12-5-10(18(2,3)27)7-21-14(12)25-11-6-13(19)16(28-4)22-8-11/h5-8,27H,1-4H3,(H,21,25)(H2,20,23,24,26).
What are the key properties of 2-[5-(4-amino-6-methyl-1,3,5-triazin-2-yl)-6-[(5-fluoro-6-methoxy-3-pyridinyl)amino]-3-pyridinyl]propan-2-ol?
2-[5-(4-amino-6-methyl-1,3,5-triazin-2-yl)-6-[(5-fluoro-6-methoxy-3-pyridinyl)amino]-3-pyridinyl]propan-2-ol has a molecular weight of 385.40 g/mol, XLogP of 2.34, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-amino-6-methyl-1,3,5-triazin-2-yl)-6-[(5-fluoro-6-methoxy-3-pyridinyl)amino]-3-pyridinyl]propan-2-ol is sourced from PubChem (CID 59548463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).