1-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1-pyrazin-2-ylpropan-2-yl)urea

C17H20N4O3 — CID 118764985

IUPAC1-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1-pyrazin-2-ylpropan-2-yl)urea
SMILESCc1cc2c(cc1NC(=O)NC(C)Cc1cnccn1)OCCO2
InChIInChI=1S/C17H20N4O3/c1-11-7-15-16(24-6-5-23-15)9-14(11)21-17(22)20-12(2)8-13-10-18-3-4-19-13/h3-4,7,9-10,12H,5-6,8H2,1-2H3,(H2,20,21,22)
InChIKeyYGLKJHGHBNYIHP-UHFFFAOYSA-N
MW328.37 g/mol
LogP2.31
Rot. Bonds4

About 1-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1-pyrazin-2-ylpropan-2-yl)urea

1-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1-pyrazin-2-ylpropan-2-yl)urea (PubChem CID 118764985) has the molecular formula C17H20N4O3 and a molecular weight of 328.37 g/mol. Its IUPAC name is 1-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1-pyrazin-2-ylpropan-2-yl)urea.

Molecular Properties

Compound Name1-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1-pyrazin-2-ylpropan-2-yl)urea
PubChem CID118764985
Molecular FormulaC17H20N4O3
Molecular Weight328.37 g/mol
Exact Mass328.15
IUPAC Name1-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1-pyrazin-2-ylpropan-2-yl)urea
SMILESCc1cc2c(cc1NC(=O)NC(C)Cc1cnccn1)OCCO2
InChIInChI=1S/C17H20N4O3/c1-11-7-15-16(24-6-5-23-15)9-14(11)21-17(22)20-12(2)8-13-10-18-3-4-19-13/h3-4,7,9-10,12H,5-6,8H2,1-2H3,(H2,20,21,22)
InChIKeyYGLKJHGHBNYIHP-UHFFFAOYSA-N
XLogP2.31
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1-pyrazin-2-ylpropan-2-yl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(5-methylpyrazin-2-yl)methyl]urea
CID 74231193
1-methyl-3-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)urea
CID 115168904
5-methyl-N-(1-pyrazin-2-ylpropan-2-yl)pyrazine-2-carboxamide
CID 91779730
2-ethyl-N-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)butanamide
CID 110778000
1-[(R)-cyclopropyl-(4-methyl-2-pyridinyl)methyl]-3-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)urea
CID 126433682
1-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-3-pentan-2-ylurea
CID 47132810
1-(6-methyl-1,3-benzodioxol-5-yl)-2-pyrazin-2-ylethanone
CID 116832767
1-(3-cyclopentyloxyphenyl)-3-[(2R)-1-pyrazin-2-ylpropan-2-yl]urea
CID 97453321
N-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)carbamoyl bromide
CID 115193287
1-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-3-[1-(2,6-difluorophenyl)propan-2-yl]urea
CID 55817222
1-[4-(propylsulfamoyl)phenyl]-3-[(2R)-1-pyrazin-2-ylpropan-2-yl]urea
CID 125170085
2-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)amino]-2-oxoacetic acid
CID 82496946

Frequently Asked Questions

What is the IUPAC name of 1-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1-pyrazin-2-ylpropan-2-yl)urea?
The IUPAC name of 1-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1-pyrazin-2-ylpropan-2-yl)urea (CID 118764985) is 1-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1-pyrazin-2-ylpropan-2-yl)urea.
What is the SMILES notation for 1-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1-pyrazin-2-ylpropan-2-yl)urea?
The canonical SMILES for 1-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1-pyrazin-2-ylpropan-2-yl)urea is Cc1cc2c(cc1NC(=O)NC(C)Cc1cnccn1)OCCO2.
What is the InChIKey of 1-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1-pyrazin-2-ylpropan-2-yl)urea?
The InChIKey is YGLKJHGHBNYIHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O3/c1-11-7-15-16(24-6-5-23-15)9-14(11)21-17(22)20-12(2)8-13-10-18-3-4-19-13/h3-4,7,9-10,12H,5-6,8H2,1-2H3,(H2,20,21,22).
What are the key properties of 1-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1-pyrazin-2-ylpropan-2-yl)urea?
1-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1-pyrazin-2-ylpropan-2-yl)urea has a molecular weight of 328.37 g/mol, XLogP of 2.31, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1-pyrazin-2-ylpropan-2-yl)urea is sourced from PubChem (CID 118764985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).