1-[2-(3-aminopropoxy)phenyl]-3-pyrazin-2-ylurea

C14H17N5O2 — CID 10016910

IUPAC1-[2-(3-aminopropoxy)phenyl]-3-pyrazin-2-ylurea
SMILESNCCCOc1ccccc1NC(=O)Nc1cnccn1
InChIInChI=1S/C14H17N5O2/c15-6-3-9-21-12-5-2-1-4-11(12)18-14(20)19-13-10-16-7-8-17-13/h1-2,4-5,7-8,10H,3,6,9,15H2,(H2,17,18,19,20)
InChIKeyUVSSZSQSZGKMAL-UHFFFAOYSA-N
MW287.32 g/mol
LogP1.85
Rot. Bonds6

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

1-[2-(3-aminopropoxy)phenyl]-3-pyrazin-2-ylurea (PubChem CID 10016910) has the molecular formula C14H17N5O2 and a molecular weight of 287.32 g/mol. Its IUPAC name is 1-[2-(3-aminopropoxy)phenyl]-3-pyrazin-2-ylurea.

Molecular Properties

Compound Name1-[2-(3-aminopropoxy)phenyl]-3-pyrazin-2-ylurea
PubChem CID10016910
Molecular FormulaC14H17N5O2
Molecular Weight287.32 g/mol
Exact Mass287.14
IUPAC Name1-[2-(3-aminopropoxy)phenyl]-3-pyrazin-2-ylurea
SMILESNCCCOc1ccccc1NC(=O)Nc1cnccn1
InChIInChI=1S/C14H17N5O2/c15-6-3-9-21-12-5-2-1-4-11(12)18-14(20)19-13-10-16-7-8-17-13/h1-2,4-5,7-8,10H,3,6,9,15H2,(H2,17,18,19,20)
InChIKeyUVSSZSQSZGKMAL-UHFFFAOYSA-N
XLogP1.85
TPSA102.16 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.85
H-Bond Donors ≤ 53
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-(dimethylamino)propoxy]phenyl]-3-pyrazin-2-ylurea
CID 58842168
1-(2-propan-2-yloxyphenyl)-3-pyrazin-2-ylurea
CID 110492341
1-(2-chlorophenyl)-3-pyrazin-2-ylurea
CID 5078272
1-[2-[[4-(dimethylamino)cyclohexyl]methoxy]phenyl]-3-pyrazin-2-ylurea
CID 58842154
1-[2-(2-aminoethoxy)phenyl]-3-(2-fluorophenyl)urea
CID 43175667
2-(2-aminophenoxy)-N-pyrazin-2-ylacetamide
CID 43616028
1,3-bis(2-butoxyphenyl)urea
CID 17170447
1-(2,4-difluorophenyl)-3-pyrazin-2-ylurea
CID 970790
phenyl N-[2-(2-aminoethoxy)phenyl]carbamate
CID 43369849
1-(2-morpholin-4-ylphenyl)-3-pyrazin-2-ylurea
CID 110492463
N-[2-[4-(2-acetamidophenoxy)butoxy]phenyl]acetamide
CID 3708150
1-(2-butoxyphenyl)-3-phenylurea
CID 17087022

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-aminopropoxy)phenyl]-3-pyrazin-2-ylurea?
The IUPAC name of 1-[2-(3-aminopropoxy)phenyl]-3-pyrazin-2-ylurea (CID 10016910) is 1-[2-(3-aminopropoxy)phenyl]-3-pyrazin-2-ylurea.
What is the SMILES notation for 1-[2-(3-aminopropoxy)phenyl]-3-pyrazin-2-ylurea?
The canonical SMILES for 1-[2-(3-aminopropoxy)phenyl]-3-pyrazin-2-ylurea is NCCCOc1ccccc1NC(=O)Nc1cnccn1.
What is the InChIKey of 1-[2-(3-aminopropoxy)phenyl]-3-pyrazin-2-ylurea?
The InChIKey is UVSSZSQSZGKMAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O2/c15-6-3-9-21-12-5-2-1-4-11(12)18-14(20)19-13-10-16-7-8-17-13/h1-2,4-5,7-8,10H,3,6,9,15H2,(H2,17,18,19,20).
What are the key properties of 1-[2-(3-aminopropoxy)phenyl]-3-pyrazin-2-ylurea?
1-[2-(3-aminopropoxy)phenyl]-3-pyrazin-2-ylurea has a molecular weight of 287.32 g/mol, XLogP of 1.85, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-aminopropoxy)phenyl]-3-pyrazin-2-ylurea is sourced from PubChem (CID 10016910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).