3-[3-(2-methoxyethoxy)phenyl]-1-methyl-1-(pyrazin-2-ylmethyl)urea

C16H20N4O3 — CID 72926210

IUPAC3-[3-(2-methoxyethoxy)phenyl]-1-methyl-1-(pyrazin-2-ylmethyl)urea
SMILESCOCCOc1cccc(NC(=O)N(C)Cc2cnccn2)c1
InChIInChI=1S/C16H20N4O3/c1-20(12-14-11-17-6-7-18-14)16(21)19-13-4-3-5-15(10-13)23-9-8-22-2/h3-7,10-11H,8-9,12H2,1-2H3,(H,19,21)
InChIKeyNCZZLANMNGMWMC-UHFFFAOYSA-N
MW316.36 g/mol
LogP2.17
Rot. Bonds7

About 3-[3-(2-methoxyethoxy)phenyl]-1-methyl-1-(pyrazin-2-ylmethyl)urea

3-[3-(2-methoxyethoxy)phenyl]-1-methyl-1-(pyrazin-2-ylmethyl)urea (PubChem CID 72926210) has the molecular formula C16H20N4O3 and a molecular weight of 316.36 g/mol. Its IUPAC name is 3-[3-(2-methoxyethoxy)phenyl]-1-methyl-1-(pyrazin-2-ylmethyl)urea.

Molecular Properties

Compound Name3-[3-(2-methoxyethoxy)phenyl]-1-methyl-1-(pyrazin-2-ylmethyl)urea
PubChem CID72926210
Molecular FormulaC16H20N4O3
Molecular Weight316.36 g/mol
Exact Mass316.15
IUPAC Name3-[3-(2-methoxyethoxy)phenyl]-1-methyl-1-(pyrazin-2-ylmethyl)urea
SMILESCOCCOc1cccc(NC(=O)N(C)Cc2cnccn2)c1
InChIInChI=1S/C16H20N4O3/c1-20(12-14-11-17-6-7-18-14)16(21)19-13-4-3-5-15(10-13)23-9-8-22-2/h3-7,10-11H,8-9,12H2,1-2H3,(H,19,21)
InChIKeyNCZZLANMNGMWMC-UHFFFAOYSA-N
XLogP2.17
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[3-(2-methoxyethoxy)phenyl]-1-methyl-1-(pyridin-4-ylmethyl)urea
CID 87010136
3-(9H-fluoren-2-yl)-1-methyl-1-(pyrazin-2-ylmethyl)urea
CID 56792360
4-chloro-N-[3-(2-methoxyethoxy)phenyl]pyridine-2-carboxamide
CID 61041653
1-methyl-1-[2-(3-methylphenoxy)ethyl]-3-pyridin-3-ylurea
CID 18101625
N-[3-(2-methoxyethoxy)phenyl]-1H-pyrazole-4-carboxamide
CID 54867752
1-[2-(4-methoxyphenoxy)ethyl]-3-(3-methoxyphenyl)-1-methylurea
CID 51328279
1-[2-(dimethylamino)ethyl]-3-(3-propoxyphenyl)-1-(pyridin-3-ylmethyl)urea
CID 87009632
3-(3-acetylphenyl)-1-methyl-1-(pyridin-2-ylmethyl)urea
CID 61346260
3-[3-(2-aminoethoxy)phenyl]-1,1-dimethylurea
CID 79154063
3-[3-(2-chloroethoxy)phenyl]-1-methoxy-1-methylurea
CID 54473679
1-(3,4-dichlorophenyl)-3-[3-(2-methoxyethoxy)phenyl]urea
CID 55910965
2-chloro-N-[3-(2-methoxyethoxy)phenyl]pyridine-3-carboxamide
CID 61041501

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-methoxyethoxy)phenyl]-1-methyl-1-(pyrazin-2-ylmethyl)urea?
The IUPAC name of 3-[3-(2-methoxyethoxy)phenyl]-1-methyl-1-(pyrazin-2-ylmethyl)urea (CID 72926210) is 3-[3-(2-methoxyethoxy)phenyl]-1-methyl-1-(pyrazin-2-ylmethyl)urea.
What is the SMILES notation for 3-[3-(2-methoxyethoxy)phenyl]-1-methyl-1-(pyrazin-2-ylmethyl)urea?
The canonical SMILES for 3-[3-(2-methoxyethoxy)phenyl]-1-methyl-1-(pyrazin-2-ylmethyl)urea is COCCOc1cccc(NC(=O)N(C)Cc2cnccn2)c1.
What is the InChIKey of 3-[3-(2-methoxyethoxy)phenyl]-1-methyl-1-(pyrazin-2-ylmethyl)urea?
The InChIKey is NCZZLANMNGMWMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3/c1-20(12-14-11-17-6-7-18-14)16(21)19-13-4-3-5-15(10-13)23-9-8-22-2/h3-7,10-11H,8-9,12H2,1-2H3,(H,19,21).
What are the key properties of 3-[3-(2-methoxyethoxy)phenyl]-1-methyl-1-(pyrazin-2-ylmethyl)urea?
3-[3-(2-methoxyethoxy)phenyl]-1-methyl-1-(pyrazin-2-ylmethyl)urea has a molecular weight of 316.36 g/mol, XLogP of 2.17, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-methoxyethoxy)phenyl]-1-methyl-1-(pyrazin-2-ylmethyl)urea is sourced from PubChem (CID 72926210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).