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

C21H26N8O2 — CID 59548220

IUPAC1-[[5-(4-amino-6-methyl-1,3,5-triazin-2-yl)-6-[(6-methoxy-3-pyridinyl)amino]-3-pyridinyl]methyl]piperidin-4-ol
SMILESCOc1ccc(Nc2ncc(CN3CCC(O)CC3)cc2-c2nc(C)nc(N)n2)cn1
InChIInChI=1S/C21H26N8O2/c1-13-25-20(28-21(22)26-13)17-9-14(12-29-7-5-16(30)6-8-29)10-24-19(17)27-15-3-4-18(31-2)23-11-15/h3-4,9-11,16,30H,5-8,12H2,1-2H3,(H,24,27)(H2,22,25,26,28)
InChIKeyPLZWKQZPZPLCFY-UHFFFAOYSA-N
MW422.49 g/mol
LogP1.93
Rot. Bonds6

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

1-[[5-(4-amino-6-methyl-1,3,5-triazin-2-yl)-6-[(6-methoxy-3-pyridinyl)amino]-3-pyridinyl]methyl]piperidin-4-ol (PubChem CID 59548220) has the molecular formula C21H26N8O2 and a molecular weight of 422.49 g/mol. Its IUPAC name is 1-[[5-(4-amino-6-methyl-1,3,5-triazin-2-yl)-6-[(6-methoxy-3-pyridinyl)amino]-3-pyridinyl]methyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[[5-(4-amino-6-methyl-1,3,5-triazin-2-yl)-6-[(6-methoxy-3-pyridinyl)amino]-3-pyridinyl]methyl]piperidin-4-ol
PubChem CID59548220
Molecular FormulaC21H26N8O2
Molecular Weight422.49 g/mol
Exact Mass422.22
IUPAC Name1-[[5-(4-amino-6-methyl-1,3,5-triazin-2-yl)-6-[(6-methoxy-3-pyridinyl)amino]-3-pyridinyl]methyl]piperidin-4-ol
SMILESCOc1ccc(Nc2ncc(CN3CCC(O)CC3)cc2-c2nc(C)nc(N)n2)cn1
InChIInChI=1S/C21H26N8O2/c1-13-25-20(28-21(22)26-13)17-9-14(12-29-7-5-16(30)6-8-29)10-24-19(17)27-15-3-4-18(31-2)23-11-15/h3-4,9-11,16,30H,5-8,12H2,1-2H3,(H,24,27)(H2,22,25,26,28)
InChIKeyPLZWKQZPZPLCFY-UHFFFAOYSA-N
XLogP1.93
TPSA135.20 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.49
LogP ≤ 51.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 1-[[5-(4-amino-6-methyl-1,3,5-triazin-2-yl)-6-[(6-methoxy-3-pyridinyl)amino]-3-pyridinyl]methyl]piperidin-4-ol?
The IUPAC name of 1-[[5-(4-amino-6-methyl-1,3,5-triazin-2-yl)-6-[(6-methoxy-3-pyridinyl)amino]-3-pyridinyl]methyl]piperidin-4-ol (CID 59548220) is 1-[[5-(4-amino-6-methyl-1,3,5-triazin-2-yl)-6-[(6-methoxy-3-pyridinyl)amino]-3-pyridinyl]methyl]piperidin-4-ol.
What is the SMILES notation for 1-[[5-(4-amino-6-methyl-1,3,5-triazin-2-yl)-6-[(6-methoxy-3-pyridinyl)amino]-3-pyridinyl]methyl]piperidin-4-ol?
The canonical SMILES for 1-[[5-(4-amino-6-methyl-1,3,5-triazin-2-yl)-6-[(6-methoxy-3-pyridinyl)amino]-3-pyridinyl]methyl]piperidin-4-ol is COc1ccc(Nc2ncc(CN3CCC(O)CC3)cc2-c2nc(C)nc(N)n2)cn1.
What is the InChIKey of 1-[[5-(4-amino-6-methyl-1,3,5-triazin-2-yl)-6-[(6-methoxy-3-pyridinyl)amino]-3-pyridinyl]methyl]piperidin-4-ol?
The InChIKey is PLZWKQZPZPLCFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N8O2/c1-13-25-20(28-21(22)26-13)17-9-14(12-29-7-5-16(30)6-8-29)10-24-19(17)27-15-3-4-18(31-2)23-11-15/h3-4,9-11,16,30H,5-8,12H2,1-2H3,(H,24,27)(H2,22,25,26,28).
What are the key properties of 1-[[5-(4-amino-6-methyl-1,3,5-triazin-2-yl)-6-[(6-methoxy-3-pyridinyl)amino]-3-pyridinyl]methyl]piperidin-4-ol?
1-[[5-(4-amino-6-methyl-1,3,5-triazin-2-yl)-6-[(6-methoxy-3-pyridinyl)amino]-3-pyridinyl]methyl]piperidin-4-ol has a molecular weight of 422.49 g/mol, XLogP of 1.93, 6 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(4-amino-6-methyl-1,3,5-triazin-2-yl)-6-[(6-methoxy-3-pyridinyl)amino]-3-pyridinyl]methyl]piperidin-4-ol is sourced from PubChem (CID 59548220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).