1-amino-3-[2-[(3,6-dimethyl-2-pyridinyl)oxymethyl]-3-methylphenyl]urea

C16H20N4O2 — CID 144784562

IUPAC1-amino-3-[2-[(3,6-dimethyl-2-pyridinyl)oxymethyl]-3-methylphenyl]urea
SMILESCc1ccc(C)c(OCc2c(C)cccc2NC(=O)NN)n1
InChIInChI=1S/C16H20N4O2/c1-10-5-4-6-14(19-16(21)20-17)13(10)9-22-15-11(2)7-8-12(3)18-15/h4-8H,9,17H2,1-3H3,(H2,19,20,21)
InChIKeyGYHCYEPTGOMXGD-UHFFFAOYSA-N
MW300.36 g/mol
LogP2.58
Rot. Bonds4

About 1-amino-3-[2-[(3,6-dimethyl-2-pyridinyl)oxymethyl]-3-methylphenyl]urea

1-amino-3-[2-[(3,6-dimethyl-2-pyridinyl)oxymethyl]-3-methylphenyl]urea (PubChem CID 144784562) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is 1-amino-3-[2-[(3,6-dimethyl-2-pyridinyl)oxymethyl]-3-methylphenyl]urea.

Molecular Properties

Compound Name1-amino-3-[2-[(3,6-dimethyl-2-pyridinyl)oxymethyl]-3-methylphenyl]urea
PubChem CID144784562
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name1-amino-3-[2-[(3,6-dimethyl-2-pyridinyl)oxymethyl]-3-methylphenyl]urea
SMILESCc1ccc(C)c(OCc2c(C)cccc2NC(=O)NN)n1
InChIInChI=1S/C16H20N4O2/c1-10-5-4-6-14(19-16(21)20-17)13(10)9-22-15-11(2)7-8-12(3)18-15/h4-8H,9,17H2,1-3H3,(H2,19,20,21)
InChIKeyGYHCYEPTGOMXGD-UHFFFAOYSA-N
XLogP2.58
TPSA89.27 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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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Related Compounds

1-amino-3-[2-[(6-chloro-2-pyridinyl)oxymethyl]-3-methylphenyl]urea
CID 144783811
1-amino-3-[2-[(3-methyl-2-pyridinyl)oxymethyl]-3-propan-2-ylphenyl]urea
CID 144784541
3-bromo-2-[(3,6-dimethyl-2-pyridinyl)oxymethyl]-N-methylaniline;formohydrazide
CID 144784046
3-chloro-2-[(3,6-dimethyl-2-pyridinyl)oxymethyl]-N-methylaniline;ethane;formohydrazide
CID 144784090
2-[(3,6-dimethyl-2-pyridinyl)oxymethyl]-3-methoxy-N-methylaniline
CID 144784037
1-amino-3-[2-[1-(4-bromophenyl)ethoxymethyl]-3-methylphenyl]urea
CID 144838970
1-amino-3-[2-[[4-(6-ethyl-2-pyridinyl)-2-(trifluoromethyl)phenoxy]methyl]-3-methylphenyl]urea
CID 144773041
1-amino-3-[3-cyclopropyl-2-[[2-methyl-4-(6-methyl-3-pyridinyl)phenoxy]methyl]phenyl]urea
CID 144772839
1-amino-3-[2-[(4-bromo-2-methylphenoxy)methyl]-3-chlorophenyl]urea
CID 144785007
N,3-dimethyl-2-[(3-methyl-2-pyridinyl)oxymethyl]aniline
CID 144784540
2-[(3,6-dimethyl-5-phenyl-2-pyridinyl)oxymethyl]-N,3-dimethylaniline;formohydrazide
CID 144784393
1-amino-3-[2-[(4-methylpyrimidin-5-yl)oxymethyl]-3-(trifluoromethoxy)phenyl]urea
CID 144784267

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-[2-[(3,6-dimethyl-2-pyridinyl)oxymethyl]-3-methylphenyl]urea?
The IUPAC name of 1-amino-3-[2-[(3,6-dimethyl-2-pyridinyl)oxymethyl]-3-methylphenyl]urea (CID 144784562) is 1-amino-3-[2-[(3,6-dimethyl-2-pyridinyl)oxymethyl]-3-methylphenyl]urea.
What is the SMILES notation for 1-amino-3-[2-[(3,6-dimethyl-2-pyridinyl)oxymethyl]-3-methylphenyl]urea?
The canonical SMILES for 1-amino-3-[2-[(3,6-dimethyl-2-pyridinyl)oxymethyl]-3-methylphenyl]urea is Cc1ccc(C)c(OCc2c(C)cccc2NC(=O)NN)n1.
What is the InChIKey of 1-amino-3-[2-[(3,6-dimethyl-2-pyridinyl)oxymethyl]-3-methylphenyl]urea?
The InChIKey is GYHCYEPTGOMXGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-10-5-4-6-14(19-16(21)20-17)13(10)9-22-15-11(2)7-8-12(3)18-15/h4-8H,9,17H2,1-3H3,(H2,19,20,21).
What are the key properties of 1-amino-3-[2-[(3,6-dimethyl-2-pyridinyl)oxymethyl]-3-methylphenyl]urea?
1-amino-3-[2-[(3,6-dimethyl-2-pyridinyl)oxymethyl]-3-methylphenyl]urea has a molecular weight of 300.36 g/mol, XLogP of 2.58, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-[2-[(3,6-dimethyl-2-pyridinyl)oxymethyl]-3-methylphenyl]urea is sourced from PubChem (CID 144784562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).