3-(9H-fluoren-2-yl)-1-methyl-1-(pyrazin-2-ylmethyl)urea

C20H18N4O — CID 56792360

IUPAC3-(9H-fluoren-2-yl)-1-methyl-1-(pyrazin-2-ylmethyl)urea
SMILESCN(Cc1cnccn1)C(=O)Nc1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/C20H18N4O/c1-24(13-17-12-21-8-9-22-17)20(25)23-16-6-7-19-15(11-16)10-14-4-2-3-5-18(14)19/h2-9,11-12H,10,13H2,1H3,(H,23,25)
InChIKeyGYRJOACSIGGXEM-UHFFFAOYSA-N
MW330.39 g/mol
LogP3.71
Rot. Bonds3

About 3-(9H-fluoren-2-yl)-1-methyl-1-(pyrazin-2-ylmethyl)urea

3-(9H-fluoren-2-yl)-1-methyl-1-(pyrazin-2-ylmethyl)urea (PubChem CID 56792360) has the molecular formula C20H18N4O and a molecular weight of 330.39 g/mol. Its IUPAC name is 3-(9H-fluoren-2-yl)-1-methyl-1-(pyrazin-2-ylmethyl)urea.

Molecular Properties

Compound Name3-(9H-fluoren-2-yl)-1-methyl-1-(pyrazin-2-ylmethyl)urea
PubChem CID56792360
Molecular FormulaC20H18N4O
Molecular Weight330.39 g/mol
Exact Mass330.15
IUPAC Name3-(9H-fluoren-2-yl)-1-methyl-1-(pyrazin-2-ylmethyl)urea
SMILESCN(Cc1cnccn1)C(=O)Nc1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/C20H18N4O/c1-24(13-17-12-21-8-9-22-17)20(25)23-16-6-7-19-15(11-16)10-14-4-2-3-5-18(14)19/h2-9,11-12H,10,13H2,1H3,(H,23,25)
InChIKeyGYRJOACSIGGXEM-UHFFFAOYSA-N
XLogP3.71
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(dimethylamino)ethyl]-3-(9H-fluoren-2-yl)-1-(pyridin-3-ylmethyl)urea
CID 87009139
3-[3-(2-methoxyethoxy)phenyl]-1-methyl-1-(pyrazin-2-ylmethyl)urea
CID 72926210
3-(9H-fluoren-2-yl)-1-[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl]-1-methylurea
CID 75470123
N-tert-butyl-2-[9H-fluoren-2-ylcarbamoyl(methyl)amino]acetamide
CID 86987567
N-(9H-fluoren-2-ylcarbamothioyl)acetamide
CID 17099951
3-(9H-fluoren-2-yl)-1-methyl-1-(1-methylsulfinylpropan-2-yl)urea
CID 91649259
1-ethyl-1-[(1-ethylpyrazol-4-yl)methyl]-3-(9H-fluoren-2-yl)urea
CID 131935332
N-(9H-fluoren-2-yl)-2-(2-methoxyethoxy)pyridine-3-carboxamide
CID 60567215
[(2S)-1-(9H-fluoren-2-ylamino)-1-oxopropan-2-yl]azanium
CID 2220327
3-(4-iodophenyl)-1-methyl-1-(pyridin-2-ylmethyl)urea
CID 47393550
3-(3-acetylphenyl)-1-methyl-1-(pyridin-2-ylmethyl)urea
CID 61346260
N'-methyl-N-(4-methylphenyl)-N'-(pyrazin-2-ylmethyl)propanediamide
CID 50983286

Frequently Asked Questions

What is the IUPAC name of 3-(9H-fluoren-2-yl)-1-methyl-1-(pyrazin-2-ylmethyl)urea?
The IUPAC name of 3-(9H-fluoren-2-yl)-1-methyl-1-(pyrazin-2-ylmethyl)urea (CID 56792360) is 3-(9H-fluoren-2-yl)-1-methyl-1-(pyrazin-2-ylmethyl)urea.
What is the SMILES notation for 3-(9H-fluoren-2-yl)-1-methyl-1-(pyrazin-2-ylmethyl)urea?
The canonical SMILES for 3-(9H-fluoren-2-yl)-1-methyl-1-(pyrazin-2-ylmethyl)urea is CN(Cc1cnccn1)C(=O)Nc1ccc2c(c1)Cc1ccccc1-2.
What is the InChIKey of 3-(9H-fluoren-2-yl)-1-methyl-1-(pyrazin-2-ylmethyl)urea?
The InChIKey is GYRJOACSIGGXEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O/c1-24(13-17-12-21-8-9-22-17)20(25)23-16-6-7-19-15(11-16)10-14-4-2-3-5-18(14)19/h2-9,11-12H,10,13H2,1H3,(H,23,25).
What are the key properties of 3-(9H-fluoren-2-yl)-1-methyl-1-(pyrazin-2-ylmethyl)urea?
3-(9H-fluoren-2-yl)-1-methyl-1-(pyrazin-2-ylmethyl)urea has a molecular weight of 330.39 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(9H-fluoren-2-yl)-1-methyl-1-(pyrazin-2-ylmethyl)urea is sourced from PubChem (CID 56792360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).