1-amino-3-[3-ethyl-2-[(6-methylpyrazin-2-yl)oxymethyl]phenyl]urea

C15H19N5O2 — CID 144783768

IUPAC1-amino-3-[3-ethyl-2-[(6-methylpyrazin-2-yl)oxymethyl]phenyl]urea
SMILESCCc1cccc(NC(=O)NN)c1COc1cncc(C)n1
InChIInChI=1S/C15H19N5O2/c1-3-11-5-4-6-13(19-15(21)20-16)12(11)9-22-14-8-17-7-10(2)18-14/h4-8H,3,9,16H2,1-2H3,(H2,19,20,21)
InChIKeyQYSLZUNMMKVZEV-UHFFFAOYSA-N
MW301.35 g/mol
LogP1.92
Rot. Bonds5

About 1-amino-3-[3-ethyl-2-[(6-methylpyrazin-2-yl)oxymethyl]phenyl]urea

1-amino-3-[3-ethyl-2-[(6-methylpyrazin-2-yl)oxymethyl]phenyl]urea (PubChem CID 144783768) has the molecular formula C15H19N5O2 and a molecular weight of 301.35 g/mol. Its IUPAC name is 1-amino-3-[3-ethyl-2-[(6-methylpyrazin-2-yl)oxymethyl]phenyl]urea.

Molecular Properties

Compound Name1-amino-3-[3-ethyl-2-[(6-methylpyrazin-2-yl)oxymethyl]phenyl]urea
PubChem CID144783768
Molecular FormulaC15H19N5O2
Molecular Weight301.35 g/mol
Exact Mass301.15
IUPAC Name1-amino-3-[3-ethyl-2-[(6-methylpyrazin-2-yl)oxymethyl]phenyl]urea
SMILESCCc1cccc(NC(=O)NN)c1COc1cncc(C)n1
InChIInChI=1S/C15H19N5O2/c1-3-11-5-4-6-13(19-15(21)20-16)12(11)9-22-14-8-17-7-10(2)18-14/h4-8H,3,9,16H2,1-2H3,(H2,19,20,21)
InChIKeyQYSLZUNMMKVZEV-UHFFFAOYSA-N
XLogP1.92
TPSA102.16 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 51.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-amino-3-[3-ethyl-2-[(6-methylpyrazin-2-yl)oxymethyl]phenyl]urea?
The IUPAC name of 1-amino-3-[3-ethyl-2-[(6-methylpyrazin-2-yl)oxymethyl]phenyl]urea (CID 144783768) is 1-amino-3-[3-ethyl-2-[(6-methylpyrazin-2-yl)oxymethyl]phenyl]urea.
What is the SMILES notation for 1-amino-3-[3-ethyl-2-[(6-methylpyrazin-2-yl)oxymethyl]phenyl]urea?
The canonical SMILES for 1-amino-3-[3-ethyl-2-[(6-methylpyrazin-2-yl)oxymethyl]phenyl]urea is CCc1cccc(NC(=O)NN)c1COc1cncc(C)n1.
What is the InChIKey of 1-amino-3-[3-ethyl-2-[(6-methylpyrazin-2-yl)oxymethyl]phenyl]urea?
The InChIKey is QYSLZUNMMKVZEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O2/c1-3-11-5-4-6-13(19-15(21)20-16)12(11)9-22-14-8-17-7-10(2)18-14/h4-8H,3,9,16H2,1-2H3,(H2,19,20,21).
What are the key properties of 1-amino-3-[3-ethyl-2-[(6-methylpyrazin-2-yl)oxymethyl]phenyl]urea?
1-amino-3-[3-ethyl-2-[(6-methylpyrazin-2-yl)oxymethyl]phenyl]urea has a molecular weight of 301.35 g/mol, XLogP of 1.92, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-[3-ethyl-2-[(6-methylpyrazin-2-yl)oxymethyl]phenyl]urea is sourced from PubChem (CID 144783768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).