5-[[4-[[3-(dimethylamino)-4-methylpentyl]amino]-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]-1-methylpiperidin-2-one

C21H38N8O2 — CID 167881840

IUPAC5-[[4-[[3-(dimethylamino)-4-methylpentyl]amino]-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]-1-methylpiperidin-2-one
SMILESCC(C)C(CCNc1nc(NC2CCC(=O)N(C)C2)nc(N2CCOCC2)n1)N(C)C
InChIInChI=1S/C21H38N8O2/c1-15(2)17(27(3)4)8-9-22-19-24-20(23-16-6-7-18(30)28(5)14-16)26-21(25-19)29-10-12-31-13-11-29/h15-17H,6-14H2,1-5H3,(H2,22,23,24,25,26)
InChIKeyLNHRYYQICAVJPT-UHFFFAOYSA-N
MW434.59 g/mol
LogP1.13
Rot. Bonds9

About 5-[[4-[[3-(dimethylamino)-4-methylpentyl]amino]-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]-1-methylpiperidin-2-one

5-[[4-[[3-(dimethylamino)-4-methylpentyl]amino]-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]-1-methylpiperidin-2-one (PubChem CID 167881840) has the molecular formula C21H38N8O2 and a molecular weight of 434.59 g/mol. Its IUPAC name is 5-[[4-[[3-(dimethylamino)-4-methylpentyl]amino]-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]-1-methylpiperidin-2-one.

Molecular Properties

Compound Name5-[[4-[[3-(dimethylamino)-4-methylpentyl]amino]-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]-1-methylpiperidin-2-one
PubChem CID167881840
Molecular FormulaC21H38N8O2
Molecular Weight434.59 g/mol
Exact Mass434.31
IUPAC Name5-[[4-[[3-(dimethylamino)-4-methylpentyl]amino]-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]-1-methylpiperidin-2-one
SMILESCC(C)C(CCNc1nc(NC2CCC(=O)N(C)C2)nc(N2CCOCC2)n1)N(C)C
InChIInChI=1S/C21H38N8O2/c1-15(2)17(27(3)4)8-9-22-19-24-20(23-16-6-7-18(30)28(5)14-16)26-21(25-19)29-10-12-31-13-11-29/h15-17H,6-14H2,1-5H3,(H2,22,23,24,25,26)
InChIKeyLNHRYYQICAVJPT-UHFFFAOYSA-N
XLogP1.13
TPSA98.75 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.59
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-[[4-[[3-(dimethylamino)-4-methylpentyl]amino]-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]-1-methylpiperidin-2-one?
The IUPAC name of 5-[[4-[[3-(dimethylamino)-4-methylpentyl]amino]-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]-1-methylpiperidin-2-one (CID 167881840) is 5-[[4-[[3-(dimethylamino)-4-methylpentyl]amino]-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]-1-methylpiperidin-2-one.
What is the SMILES notation for 5-[[4-[[3-(dimethylamino)-4-methylpentyl]amino]-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]-1-methylpiperidin-2-one?
The canonical SMILES for 5-[[4-[[3-(dimethylamino)-4-methylpentyl]amino]-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]-1-methylpiperidin-2-one is CC(C)C(CCNc1nc(NC2CCC(=O)N(C)C2)nc(N2CCOCC2)n1)N(C)C.
What is the InChIKey of 5-[[4-[[3-(dimethylamino)-4-methylpentyl]amino]-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]-1-methylpiperidin-2-one?
The InChIKey is LNHRYYQICAVJPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H38N8O2/c1-15(2)17(27(3)4)8-9-22-19-24-20(23-16-6-7-18(30)28(5)14-16)26-21(25-19)29-10-12-31-13-11-29/h15-17H,6-14H2,1-5H3,(H2,22,23,24,25,26).
What are the key properties of 5-[[4-[[3-(dimethylamino)-4-methylpentyl]amino]-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]-1-methylpiperidin-2-one?
5-[[4-[[3-(dimethylamino)-4-methylpentyl]amino]-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]-1-methylpiperidin-2-one has a molecular weight of 434.59 g/mol, XLogP of 1.13, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[[3-(dimethylamino)-4-methylpentyl]amino]-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]-1-methylpiperidin-2-one is sourced from PubChem (CID 167881840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).