1-[2-[[4-(dimethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]oxy]ethyl]-3-phenylurea

C19H27N7O2 — CID 3156648

IUPAC1-[2-[[4-(dimethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]oxy]ethyl]-3-phenylurea
SMILESCN(C)c1nc(OCCNC(=O)Nc2ccccc2)nc(N2CCCCC2)n1
InChIInChI=1S/C19H27N7O2/c1-25(2)16-22-17(26-12-7-4-8-13-26)24-19(23-16)28-14-11-20-18(27)21-15-9-5-3-6-10-15/h3,5-6,9-10H,4,7-8,11-14H2,1-2H3,(H2,20,21,27)
InChIKeyNUPNQACSJJZCSO-UHFFFAOYSA-N
MW385.47 g/mol
LogP2.13
Rot. Bonds7

About 1-[2-[[4-(dimethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]oxy]ethyl]-3-phenylurea

1-[2-[[4-(dimethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]oxy]ethyl]-3-phenylurea (PubChem CID 3156648) has the molecular formula C19H27N7O2 and a molecular weight of 385.47 g/mol. Its IUPAC name is 1-[2-[[4-(dimethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]oxy]ethyl]-3-phenylurea.

Molecular Properties

Compound Name1-[2-[[4-(dimethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]oxy]ethyl]-3-phenylurea
PubChem CID3156648
Molecular FormulaC19H27N7O2
Molecular Weight385.47 g/mol
Exact Mass385.22
IUPAC Name1-[2-[[4-(dimethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]oxy]ethyl]-3-phenylurea
SMILESCN(C)c1nc(OCCNC(=O)Nc2ccccc2)nc(N2CCCCC2)n1
InChIInChI=1S/C19H27N7O2/c1-25(2)16-22-17(26-12-7-4-8-13-26)24-19(23-16)28-14-11-20-18(27)21-15-9-5-3-6-10-15/h3,5-6,9-10H,4,7-8,11-14H2,1-2H3,(H2,20,21,27)
InChIKeyNUPNQACSJJZCSO-UHFFFAOYSA-N
XLogP2.13
TPSA95.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[[4-(dimethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]oxy]ethyl]-3-phenylurea?
The IUPAC name of 1-[2-[[4-(dimethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]oxy]ethyl]-3-phenylurea (CID 3156648) is 1-[2-[[4-(dimethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]oxy]ethyl]-3-phenylurea.
What is the SMILES notation for 1-[2-[[4-(dimethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]oxy]ethyl]-3-phenylurea?
The canonical SMILES for 1-[2-[[4-(dimethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]oxy]ethyl]-3-phenylurea is CN(C)c1nc(OCCNC(=O)Nc2ccccc2)nc(N2CCCCC2)n1.
What is the InChIKey of 1-[2-[[4-(dimethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]oxy]ethyl]-3-phenylurea?
The InChIKey is NUPNQACSJJZCSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N7O2/c1-25(2)16-22-17(26-12-7-4-8-13-26)24-19(23-16)28-14-11-20-18(27)21-15-9-5-3-6-10-15/h3,5-6,9-10H,4,7-8,11-14H2,1-2H3,(H2,20,21,27).
What are the key properties of 1-[2-[[4-(dimethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]oxy]ethyl]-3-phenylurea?
1-[2-[[4-(dimethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]oxy]ethyl]-3-phenylurea has a molecular weight of 385.47 g/mol, XLogP of 2.13, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[4-(dimethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]oxy]ethyl]-3-phenylurea is sourced from PubChem (CID 3156648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).