1-[2-[3-(dimethylamino)propoxy]phenyl]-3-pyrazin-2-ylurea

C16H21N5O2 — CID 58842168

IUPAC1-[2-[3-(dimethylamino)propoxy]phenyl]-3-pyrazin-2-ylurea
SMILESCN(C)CCCOc1ccccc1NC(=O)Nc1cnccn1
InChIInChI=1S/C16H21N5O2/c1-21(2)10-5-11-23-14-7-4-3-6-13(14)19-16(22)20-15-12-17-8-9-18-15/h3-4,6-9,12H,5,10-11H2,1-2H3,(H2,18,19,20,22)
InChIKeyWICIMBYFLQYFRA-UHFFFAOYSA-N
MW315.38 g/mol
LogP2.45
Rot. Bonds7

About 1-[2-[3-(dimethylamino)propoxy]phenyl]-3-pyrazin-2-ylurea

1-[2-[3-(dimethylamino)propoxy]phenyl]-3-pyrazin-2-ylurea (PubChem CID 58842168) has the molecular formula C16H21N5O2 and a molecular weight of 315.38 g/mol. Its IUPAC name is 1-[2-[3-(dimethylamino)propoxy]phenyl]-3-pyrazin-2-ylurea.

Molecular Properties

Compound Name1-[2-[3-(dimethylamino)propoxy]phenyl]-3-pyrazin-2-ylurea
PubChem CID58842168
Molecular FormulaC16H21N5O2
Molecular Weight315.38 g/mol
Exact Mass315.17
IUPAC Name1-[2-[3-(dimethylamino)propoxy]phenyl]-3-pyrazin-2-ylurea
SMILESCN(C)CCCOc1ccccc1NC(=O)Nc1cnccn1
InChIInChI=1S/C16H21N5O2/c1-21(2)10-5-11-23-14-7-4-3-6-13(14)19-16(22)20-15-12-17-8-9-18-15/h3-4,6-9,12H,5,10-11H2,1-2H3,(H2,18,19,20,22)
InChIKeyWICIMBYFLQYFRA-UHFFFAOYSA-N
XLogP2.45
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(3-aminopropoxy)phenyl]-3-pyrazin-2-ylurea
CID 10016910
1-[2-[3-(dimethylamino)propoxy]phenyl]-3-methylurea
CID 118591807
1-(2-propan-2-yloxyphenyl)-3-pyrazin-2-ylurea
CID 110492341
1-[2-[[4-(dimethylamino)cyclohexyl]methoxy]phenyl]-3-pyrazin-2-ylurea
CID 58842154
1-[3-(dimethylamino)propyl]-3-pyrazin-2-ylurea
CID 110492155
1-(2-chlorophenyl)-3-pyrazin-2-ylurea
CID 5078272
1,3-bis(2-butoxyphenyl)urea
CID 17170447
N-[3-(dimethylamino)propyl]-4-(methoxymethyl)-3-(pyrazin-2-ylcarbamoylamino)benzamide
CID 91485425
1-[5-chloro-2-[3-(dimethylamino)propoxy]phenyl]-3-(5-methylpyrazin-2-yl)urea
CID 18449131
1-(5-aminopyrazin-2-yl)-3-[5-chloro-2-[3-(dimethylamino)propoxy]phenyl]urea
CID 71150832
2-(2-aminophenoxy)-N-pyrazin-2-ylacetamide
CID 43616028
N-[2-[4-(2-acetamidophenoxy)butoxy]phenyl]acetamide
CID 3708150

Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-(dimethylamino)propoxy]phenyl]-3-pyrazin-2-ylurea?
The IUPAC name of 1-[2-[3-(dimethylamino)propoxy]phenyl]-3-pyrazin-2-ylurea (CID 58842168) is 1-[2-[3-(dimethylamino)propoxy]phenyl]-3-pyrazin-2-ylurea.
What is the SMILES notation for 1-[2-[3-(dimethylamino)propoxy]phenyl]-3-pyrazin-2-ylurea?
The canonical SMILES for 1-[2-[3-(dimethylamino)propoxy]phenyl]-3-pyrazin-2-ylurea is CN(C)CCCOc1ccccc1NC(=O)Nc1cnccn1.
What is the InChIKey of 1-[2-[3-(dimethylamino)propoxy]phenyl]-3-pyrazin-2-ylurea?
The InChIKey is WICIMBYFLQYFRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O2/c1-21(2)10-5-11-23-14-7-4-3-6-13(14)19-16(22)20-15-12-17-8-9-18-15/h3-4,6-9,12H,5,10-11H2,1-2H3,(H2,18,19,20,22).
What are the key properties of 1-[2-[3-(dimethylamino)propoxy]phenyl]-3-pyrazin-2-ylurea?
1-[2-[3-(dimethylamino)propoxy]phenyl]-3-pyrazin-2-ylurea has a molecular weight of 315.38 g/mol, XLogP of 2.45, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-(dimethylamino)propoxy]phenyl]-3-pyrazin-2-ylurea is sourced from PubChem (CID 58842168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).