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

C16H17N7O2 — CID 59548302

IUPAC[5-(4-amino-6-methyl-1,3,5-triazin-2-yl)-6-[(6-methoxy-3-pyridinyl)amino]-3-pyridinyl]methanol
SMILESCOc1ccc(Nc2ncc(CO)cc2-c2nc(C)nc(N)n2)cn1
InChIInChI=1S/C16H17N7O2/c1-9-20-15(23-16(17)21-9)12-5-10(8-24)6-19-14(12)22-11-3-4-13(25-2)18-7-11/h3-7,24H,8H2,1-2H3,(H,19,22)(H2,17,20,21,23)
InChIKeyJJRKQAAMIWSSRQ-UHFFFAOYSA-N
MW339.36 g/mol
LogP1.46
Rot. Bonds5

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

[5-(4-amino-6-methyl-1,3,5-triazin-2-yl)-6-[(6-methoxy-3-pyridinyl)amino]-3-pyridinyl]methanol (PubChem CID 59548302) has the molecular formula C16H17N7O2 and a molecular weight of 339.36 g/mol. Its IUPAC name is [5-(4-amino-6-methyl-1,3,5-triazin-2-yl)-6-[(6-methoxy-3-pyridinyl)amino]-3-pyridinyl]methanol.

Molecular Properties

Compound Name[5-(4-amino-6-methyl-1,3,5-triazin-2-yl)-6-[(6-methoxy-3-pyridinyl)amino]-3-pyridinyl]methanol
PubChem CID59548302
Molecular FormulaC16H17N7O2
Molecular Weight339.36 g/mol
Exact Mass339.14
IUPAC Name[5-(4-amino-6-methyl-1,3,5-triazin-2-yl)-6-[(6-methoxy-3-pyridinyl)amino]-3-pyridinyl]methanol
SMILESCOc1ccc(Nc2ncc(CO)cc2-c2nc(C)nc(N)n2)cn1
InChIInChI=1S/C16H17N7O2/c1-9-20-15(23-16(17)21-9)12-5-10(8-24)6-19-14(12)22-11-3-4-13(25-2)18-7-11/h3-7,24H,8H2,1-2H3,(H,19,22)(H2,17,20,21,23)
InChIKeyJJRKQAAMIWSSRQ-UHFFFAOYSA-N
XLogP1.46
TPSA131.96 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.36
LogP ≤ 51.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of [5-(4-amino-6-methyl-1,3,5-triazin-2-yl)-6-[(6-methoxy-3-pyridinyl)amino]-3-pyridinyl]methanol?
The IUPAC name of [5-(4-amino-6-methyl-1,3,5-triazin-2-yl)-6-[(6-methoxy-3-pyridinyl)amino]-3-pyridinyl]methanol (CID 59548302) is [5-(4-amino-6-methyl-1,3,5-triazin-2-yl)-6-[(6-methoxy-3-pyridinyl)amino]-3-pyridinyl]methanol.
What is the SMILES notation for [5-(4-amino-6-methyl-1,3,5-triazin-2-yl)-6-[(6-methoxy-3-pyridinyl)amino]-3-pyridinyl]methanol?
The canonical SMILES for [5-(4-amino-6-methyl-1,3,5-triazin-2-yl)-6-[(6-methoxy-3-pyridinyl)amino]-3-pyridinyl]methanol is COc1ccc(Nc2ncc(CO)cc2-c2nc(C)nc(N)n2)cn1.
What is the InChIKey of [5-(4-amino-6-methyl-1,3,5-triazin-2-yl)-6-[(6-methoxy-3-pyridinyl)amino]-3-pyridinyl]methanol?
The InChIKey is JJRKQAAMIWSSRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N7O2/c1-9-20-15(23-16(17)21-9)12-5-10(8-24)6-19-14(12)22-11-3-4-13(25-2)18-7-11/h3-7,24H,8H2,1-2H3,(H,19,22)(H2,17,20,21,23).
What are the key properties of [5-(4-amino-6-methyl-1,3,5-triazin-2-yl)-6-[(6-methoxy-3-pyridinyl)amino]-3-pyridinyl]methanol?
[5-(4-amino-6-methyl-1,3,5-triazin-2-yl)-6-[(6-methoxy-3-pyridinyl)amino]-3-pyridinyl]methanol has a molecular weight of 339.36 g/mol, XLogP of 1.46, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-amino-6-methyl-1,3,5-triazin-2-yl)-6-[(6-methoxy-3-pyridinyl)amino]-3-pyridinyl]methanol is sourced from PubChem (CID 59548302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).