1-(4-chlorophenyl)-3-[2-[[4-(ethylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]oxy]ethyl]urea

C17H24ClN7O2 — CID 23607064

IUPAC1-(4-chlorophenyl)-3-[2-[[4-(ethylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]oxy]ethyl]urea
SMILESCCNc1nc(NC(C)C)nc(OCCNC(=O)Nc2ccc(Cl)cc2)n1
InChIInChI=1S/C17H24ClN7O2/c1-4-19-14-23-15(21-11(2)3)25-17(24-14)27-10-9-20-16(26)22-13-7-5-12(18)6-8-13/h5-8,11H,4,9-10H2,1-3H3,(H2,20,22,26)(H2,19,21,23,24,25)
InChIKeyRGLZLHJBIXLZOM-UHFFFAOYSA-N
MW393.88 g/mol
LogP2.98
Rot. Bonds9

About 1-(4-chlorophenyl)-3-[2-[[4-(ethylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]oxy]ethyl]urea

1-(4-chlorophenyl)-3-[2-[[4-(ethylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]oxy]ethyl]urea (PubChem CID 23607064) has the molecular formula C17H24ClN7O2 and a molecular weight of 393.88 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[2-[[4-(ethylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]oxy]ethyl]urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-[2-[[4-(ethylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]oxy]ethyl]urea
PubChem CID23607064
Molecular FormulaC17H24ClN7O2
Molecular Weight393.88 g/mol
Exact Mass393.17
IUPAC Name1-(4-chlorophenyl)-3-[2-[[4-(ethylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]oxy]ethyl]urea
SMILESCCNc1nc(NC(C)C)nc(OCCNC(=O)Nc2ccc(Cl)cc2)n1
InChIInChI=1S/C17H24ClN7O2/c1-4-19-14-23-15(21-11(2)3)25-17(24-14)27-10-9-20-16(26)22-13-7-5-12(18)6-8-13/h5-8,11H,4,9-10H2,1-3H3,(H2,20,22,26)(H2,19,21,23,24,25)
InChIKeyRGLZLHJBIXLZOM-UHFFFAOYSA-N
XLogP2.98
TPSA113.09 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.88
LogP ≤ 52.98
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 1-(4-chlorophenyl)-3-[2-[[4-(ethylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]oxy]ethyl]urea with MolForge

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Related Compounds

1-(4-chlorophenyl)-3-[[4-(ethylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]sulfanyl]urea
CID 110190508
1-[2-(4-chlorophenoxy)ethyl]-3-(4-ethoxyphenyl)urea
CID 112970962
2-[[4-(ethylamino)-6-propoxy-1,3,5-triazin-2-yl]amino]-N-propan-2-ylacetamide
CID 80775822
1-(4-chlorophenyl)-3-[2-(2,4-dimethylphenoxy)ethyl]urea
CID 112973699
1-[2-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]ethyl]-3-(3,4-dichlorophenyl)urea
CID 27396154
1-(4-methoxyphenyl)-3-[2-(4-propan-2-ylphenoxy)ethyl]urea
CID 112972614
1-[2-(4-methoxyphenoxy)ethyl]-3-(4-propan-2-ylphenyl)urea
CID 108990560
1-(3-chloro-4-fluorophenyl)-3-[2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]ethyl]urea
CID 122325314
1-[2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]oxy]ethyl]-3-(4-methylphenyl)urea
CID 34888408
1-[2-(3,4-difluorophenoxy)ethyl]-3-(4-propan-2-ylphenyl)urea
CID 112976375
1-(4-chlorophenyl)-3-undecylurea
CID 3711116
1-[2-(3-chlorophenoxy)ethyl]-3-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]urea
CID 56520467

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-[2-[[4-(ethylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]oxy]ethyl]urea?
The IUPAC name of 1-(4-chlorophenyl)-3-[2-[[4-(ethylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]oxy]ethyl]urea (CID 23607064) is 1-(4-chlorophenyl)-3-[2-[[4-(ethylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]oxy]ethyl]urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-[2-[[4-(ethylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]oxy]ethyl]urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-[2-[[4-(ethylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]oxy]ethyl]urea is CCNc1nc(NC(C)C)nc(OCCNC(=O)Nc2ccc(Cl)cc2)n1.
What is the InChIKey of 1-(4-chlorophenyl)-3-[2-[[4-(ethylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]oxy]ethyl]urea?
The InChIKey is RGLZLHJBIXLZOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClN7O2/c1-4-19-14-23-15(21-11(2)3)25-17(24-14)27-10-9-20-16(26)22-13-7-5-12(18)6-8-13/h5-8,11H,4,9-10H2,1-3H3,(H2,20,22,26)(H2,19,21,23,24,25).
What are the key properties of 1-(4-chlorophenyl)-3-[2-[[4-(ethylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]oxy]ethyl]urea?
1-(4-chlorophenyl)-3-[2-[[4-(ethylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]oxy]ethyl]urea has a molecular weight of 393.88 g/mol, XLogP of 2.98, 9 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-[2-[[4-(ethylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]oxy]ethyl]urea is sourced from PubChem (CID 23607064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).