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

C19H22FN7O2 — CID 59548389

IUPAC2-[5-(4-amino-6-methyl-1,3,5-triazin-2-yl)-6-[(5-fluoro-6-methoxy-3-pyridinyl)amino]-3-pyridinyl]-2-methylpropan-1-ol
SMILESCOc1ncc(Nc2ncc(C(C)(C)CO)cc2-c2nc(C)nc(N)n2)cc1F
InChIInChI=1S/C19H22FN7O2/c1-10-24-16(27-18(21)25-10)13-5-11(19(2,3)9-28)7-22-15(13)26-12-6-14(20)17(29-4)23-8-12/h5-8,28H,9H2,1-4H3,(H,22,26)(H2,21,24,25,27)
InChIKeyVWJMXEJPKWZLNL-UHFFFAOYSA-N
MW399.43 g/mol
LogP2.38
Rot. Bonds6

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

2-[5-(4-amino-6-methyl-1,3,5-triazin-2-yl)-6-[(5-fluoro-6-methoxy-3-pyridinyl)amino]-3-pyridinyl]-2-methylpropan-1-ol (PubChem CID 59548389) has the molecular formula C19H22FN7O2 and a molecular weight of 399.43 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]-2-methylpropan-1-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]-2-methylpropan-1-ol
PubChem CID59548389
Molecular FormulaC19H22FN7O2
Molecular Weight399.43 g/mol
Exact Mass399.18
IUPAC Name2-[5-(4-amino-6-methyl-1,3,5-triazin-2-yl)-6-[(5-fluoro-6-methoxy-3-pyridinyl)amino]-3-pyridinyl]-2-methylpropan-1-ol
SMILESCOc1ncc(Nc2ncc(C(C)(C)CO)cc2-c2nc(C)nc(N)n2)cc1F
InChIInChI=1S/C19H22FN7O2/c1-10-24-16(27-18(21)25-10)13-5-11(19(2,3)9-28)7-22-15(13)26-12-6-14(20)17(29-4)23-8-12/h5-8,28H,9H2,1-4H3,(H,22,26)(H2,21,24,25,27)
InChIKeyVWJMXEJPKWZLNL-UHFFFAOYSA-N
XLogP2.38
TPSA131.96 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.43
LogP ≤ 52.38
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]-2-methylpropan-1-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]-2-methylpropan-1-ol (CID 59548389) is 2-[5-(4-amino-6-methyl-1,3,5-triazin-2-yl)-6-[(5-fluoro-6-methoxy-3-pyridinyl)amino]-3-pyridinyl]-2-methylpropan-1-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]-2-methylpropan-1-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]-2-methylpropan-1-ol is COc1ncc(Nc2ncc(C(C)(C)CO)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]-2-methylpropan-1-ol?
The InChIKey is VWJMXEJPKWZLNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN7O2/c1-10-24-16(27-18(21)25-10)13-5-11(19(2,3)9-28)7-22-15(13)26-12-6-14(20)17(29-4)23-8-12/h5-8,28H,9H2,1-4H3,(H,22,26)(H2,21,24,25,27).
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]-2-methylpropan-1-ol?
2-[5-(4-amino-6-methyl-1,3,5-triazin-2-yl)-6-[(5-fluoro-6-methoxy-3-pyridinyl)amino]-3-pyridinyl]-2-methylpropan-1-ol has a molecular weight of 399.43 g/mol, XLogP of 2.38, 6 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]-2-methylpropan-1-ol is sourced from PubChem (CID 59548389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).