3-[4-[(4,6-dimethyl-2-pyridinyl)oxy]phenyl]-1,1-dimethylurea

C16H19N3O2 — CID 21391449

IUPAC3-[4-[(4,6-dimethyl-2-pyridinyl)oxy]phenyl]-1,1-dimethylurea
SMILESCc1cc(C)nc(Oc2ccc(NC(=O)N(C)C)cc2)c1
InChIInChI=1S/C16H19N3O2/c1-11-9-12(2)17-15(10-11)21-14-7-5-13(6-8-14)18-16(20)19(3)4/h5-10H,1-4H3,(H,18,20)
InChIKeyLJIXYFKVDJKFAV-UHFFFAOYSA-N
MW285.35 g/mol
LogP3.58
Rot. Bonds3

About 3-[4-[(4,6-dimethyl-2-pyridinyl)oxy]phenyl]-1,1-dimethylurea

3-[4-[(4,6-dimethyl-2-pyridinyl)oxy]phenyl]-1,1-dimethylurea (PubChem CID 21391449) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 3-[4-[(4,6-dimethyl-2-pyridinyl)oxy]phenyl]-1,1-dimethylurea.

Molecular Properties

Compound Name3-[4-[(4,6-dimethyl-2-pyridinyl)oxy]phenyl]-1,1-dimethylurea
PubChem CID21391449
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name3-[4-[(4,6-dimethyl-2-pyridinyl)oxy]phenyl]-1,1-dimethylurea
SMILESCc1cc(C)nc(Oc2ccc(NC(=O)N(C)C)cc2)c1
InChIInChI=1S/C16H19N3O2/c1-11-9-12(2)17-15(10-11)21-14-7-5-13(6-8-14)18-16(20)19(3)4/h5-10H,1-4H3,(H,18,20)
InChIKeyLJIXYFKVDJKFAV-UHFFFAOYSA-N
XLogP3.58
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-[2-(4,6-dimethyl-2-pyridinyl)ethoxy]phenyl]-1,1-dimethylurea
CID 13314814
3-[4-[(6-chloro-2-pyridinyl)oxy]phenyl]-1,1-dimethylurea
CID 21391446
3-[4-[4-[4-(dimethylcarbamoylamino)phenoxy]-2,3,5,6-tetrafluorophenoxy]phenyl]-1,1-dimethylurea
CID 18801582
methyl N-[4-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]carbamate
CID 108742490
N-[4-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]-2-methoxyacetamide
CID 108742534
N-[4-[2-(methoxymethyl)-6-methylpyrimidin-4-yl]oxyphenyl]-2-methylpropanamide
CID 133348014
1,1-dimethyl-3-[4-(3-prop-2-ynoxyphenoxy)phenyl]urea
CID 20507025
2-[(4-methoxyphenyl)carbamoyl-methylamino]-N-(2,4,6-trimethylphenyl)acetamide
CID 51226266
2-[4-(3,5-dimethylphenoxy)phenoxy]-N-(4-methoxyphenyl)acetamide
CID 18870428
ethyl 2-[4-(dimethylcarbamoylamino)phenoxy]acetate
CID 23823192
3-(3-bromo-5-methylphenyl)-1,1-dimethylurea
CID 110604759
1,1-dimethyl-3-[4-[(3-propan-2-yl-1-benzofuran-5-yl)oxy]phenyl]urea
CID 14152806

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(4,6-dimethyl-2-pyridinyl)oxy]phenyl]-1,1-dimethylurea?
The IUPAC name of 3-[4-[(4,6-dimethyl-2-pyridinyl)oxy]phenyl]-1,1-dimethylurea (CID 21391449) is 3-[4-[(4,6-dimethyl-2-pyridinyl)oxy]phenyl]-1,1-dimethylurea.
What is the SMILES notation for 3-[4-[(4,6-dimethyl-2-pyridinyl)oxy]phenyl]-1,1-dimethylurea?
The canonical SMILES for 3-[4-[(4,6-dimethyl-2-pyridinyl)oxy]phenyl]-1,1-dimethylurea is Cc1cc(C)nc(Oc2ccc(NC(=O)N(C)C)cc2)c1.
What is the InChIKey of 3-[4-[(4,6-dimethyl-2-pyridinyl)oxy]phenyl]-1,1-dimethylurea?
The InChIKey is LJIXYFKVDJKFAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-11-9-12(2)17-15(10-11)21-14-7-5-13(6-8-14)18-16(20)19(3)4/h5-10H,1-4H3,(H,18,20).
What are the key properties of 3-[4-[(4,6-dimethyl-2-pyridinyl)oxy]phenyl]-1,1-dimethylurea?
3-[4-[(4,6-dimethyl-2-pyridinyl)oxy]phenyl]-1,1-dimethylurea has a molecular weight of 285.35 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(4,6-dimethyl-2-pyridinyl)oxy]phenyl]-1,1-dimethylurea is sourced from PubChem (CID 21391449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).