1-[6-[2-(dimethylamino)ethoxy]-2,3-dihydro-1,4-benzodioxin-7-yl]-3-(5-methylpyrazin-2-yl)urea

C18H23N5O4 — CID 11516288

IUPAC1-[6-[2-(dimethylamino)ethoxy]-2,3-dihydro-1,4-benzodioxin-7-yl]-3-(5-methylpyrazin-2-yl)urea
SMILESCc1cnc(NC(=O)Nc2cc3c(cc2OCCN(C)C)OCCO3)cn1
InChIInChI=1S/C18H23N5O4/c1-12-10-20-17(11-19-12)22-18(24)21-13-8-15-16(27-7-6-26-15)9-14(13)25-5-4-23(2)3/h8-11H,4-7H2,1-3H3,(H2,20,21,22,24)
InChIKeyVGUKGDBJYNQRGW-UHFFFAOYSA-N
MW373.41 g/mol
LogP2.14
Rot. Bonds6

About 1-[6-[2-(dimethylamino)ethoxy]-2,3-dihydro-1,4-benzodioxin-7-yl]-3-(5-methylpyrazin-2-yl)urea

1-[6-[2-(dimethylamino)ethoxy]-2,3-dihydro-1,4-benzodioxin-7-yl]-3-(5-methylpyrazin-2-yl)urea (PubChem CID 11516288) has the molecular formula C18H23N5O4 and a molecular weight of 373.41 g/mol. Its IUPAC name is 1-[6-[2-(dimethylamino)ethoxy]-2,3-dihydro-1,4-benzodioxin-7-yl]-3-(5-methylpyrazin-2-yl)urea.

Molecular Properties

Compound Name1-[6-[2-(dimethylamino)ethoxy]-2,3-dihydro-1,4-benzodioxin-7-yl]-3-(5-methylpyrazin-2-yl)urea
PubChem CID11516288
Molecular FormulaC18H23N5O4
Molecular Weight373.41 g/mol
Exact Mass373.18
IUPAC Name1-[6-[2-(dimethylamino)ethoxy]-2,3-dihydro-1,4-benzodioxin-7-yl]-3-(5-methylpyrazin-2-yl)urea
SMILESCc1cnc(NC(=O)Nc2cc3c(cc2OCCN(C)C)OCCO3)cn1
InChIInChI=1S/C18H23N5O4/c1-12-10-20-17(11-19-12)22-18(24)21-13-8-15-16(27-7-6-26-15)9-14(13)25-5-4-23(2)3/h8-11H,4-7H2,1-3H3,(H2,20,21,22,24)
InChIKeyVGUKGDBJYNQRGW-UHFFFAOYSA-N
XLogP2.14
TPSA97.84 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-[5-chloro-2-[3-(dimethylamino)propoxy]phenyl]-3-(5-methylpyrazin-2-yl)urea
CID 18449131
3-[3-(dimethylamino)propoxy]-N-methylidene-4-[(5-methylpyrazin-2-yl)carbamoylamino]benzamide
CID 142167508
1-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(5-methylpyrazin-2-yl)methyl]urea
CID 74231193
1-(5-aminopyrazin-2-yl)-3-[5-chloro-2-[3-(dimethylamino)propoxy]phenyl]urea
CID 71150832
3-[4-chloro-2-[(5-methylpyrazin-2-yl)carbamoylamino]phenoxy]propylcarbamic acid
CID 18449142
1-[5-methoxy-2-[[(2S)-morpholin-2-yl]methoxy]phenyl]-3-(5-methylpyrazin-2-yl)urea
CID 11955977
(2S)-2-[[4-bromo-5-methyl-2-[(5-methylpyrazin-2-yl)carbamoylamino]phenoxy]methyl]morpholine-4-carboxylic acid
CID 176978221
N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-5-methylpyrazine-2-carboxamide
CID 18121973
2-(2,3-dihydro-1,4-benzodioxin-6-yloxy)-N,N-dimethylethanamine
CID 18709
1-(5-methylpyrazin-2-yl)-3-[2-[[(2R)-morpholin-2-yl]methoxy]-5-sulfanylphenyl]urea
CID 143303789
1-[2-(diethylamino)ethyl]-3-(5-methylpyrazin-2-yl)urea
CID 127579278
1-[5-methyl-2-[3-(1-methylpiperidin-3-yl)propoxy]phenyl]-3-(5-methylpyrazin-2-yl)urea
CID 142167522

Frequently Asked Questions

What is the IUPAC name of 1-[6-[2-(dimethylamino)ethoxy]-2,3-dihydro-1,4-benzodioxin-7-yl]-3-(5-methylpyrazin-2-yl)urea?
The IUPAC name of 1-[6-[2-(dimethylamino)ethoxy]-2,3-dihydro-1,4-benzodioxin-7-yl]-3-(5-methylpyrazin-2-yl)urea (CID 11516288) is 1-[6-[2-(dimethylamino)ethoxy]-2,3-dihydro-1,4-benzodioxin-7-yl]-3-(5-methylpyrazin-2-yl)urea.
What is the SMILES notation for 1-[6-[2-(dimethylamino)ethoxy]-2,3-dihydro-1,4-benzodioxin-7-yl]-3-(5-methylpyrazin-2-yl)urea?
The canonical SMILES for 1-[6-[2-(dimethylamino)ethoxy]-2,3-dihydro-1,4-benzodioxin-7-yl]-3-(5-methylpyrazin-2-yl)urea is Cc1cnc(NC(=O)Nc2cc3c(cc2OCCN(C)C)OCCO3)cn1.
What is the InChIKey of 1-[6-[2-(dimethylamino)ethoxy]-2,3-dihydro-1,4-benzodioxin-7-yl]-3-(5-methylpyrazin-2-yl)urea?
The InChIKey is VGUKGDBJYNQRGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O4/c1-12-10-20-17(11-19-12)22-18(24)21-13-8-15-16(27-7-6-26-15)9-14(13)25-5-4-23(2)3/h8-11H,4-7H2,1-3H3,(H2,20,21,22,24).
What are the key properties of 1-[6-[2-(dimethylamino)ethoxy]-2,3-dihydro-1,4-benzodioxin-7-yl]-3-(5-methylpyrazin-2-yl)urea?
1-[6-[2-(dimethylamino)ethoxy]-2,3-dihydro-1,4-benzodioxin-7-yl]-3-(5-methylpyrazin-2-yl)urea has a molecular weight of 373.41 g/mol, XLogP of 2.14, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[2-(dimethylamino)ethoxy]-2,3-dihydro-1,4-benzodioxin-7-yl]-3-(5-methylpyrazin-2-yl)urea is sourced from PubChem (CID 11516288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).