[3-[[5-(hydroxymethyl)furan-2-yl]methylamino]phenyl]urea

C13H15N3O3 — CID 64591407

IUPAC[3-[[5-(hydroxymethyl)furan-2-yl]methylamino]phenyl]urea
SMILESNC(=O)Nc1cccc(NCc2ccc(CO)o2)c1
InChIInChI=1S/C13H15N3O3/c14-13(18)16-10-3-1-2-9(6-10)15-7-11-4-5-12(8-17)19-11/h1-6,15,17H,7-8H2,(H3,14,16,18)
InChIKeyGIMJZYBAVVLXBW-UHFFFAOYSA-N
MW261.28 g/mol
LogP1.87
Rot. Bonds5

About [3-[[5-(hydroxymethyl)furan-2-yl]methylamino]phenyl]urea

[3-[[5-(hydroxymethyl)furan-2-yl]methylamino]phenyl]urea (PubChem CID 64591407) has the molecular formula C13H15N3O3 and a molecular weight of 261.28 g/mol. Its IUPAC name is [3-[[5-(hydroxymethyl)furan-2-yl]methylamino]phenyl]urea.

Molecular Properties

Compound Name[3-[[5-(hydroxymethyl)furan-2-yl]methylamino]phenyl]urea
PubChem CID64591407
Molecular FormulaC13H15N3O3
Molecular Weight261.28 g/mol
Exact Mass261.11
IUPAC Name[3-[[5-(hydroxymethyl)furan-2-yl]methylamino]phenyl]urea
SMILESNC(=O)Nc1cccc(NCc2ccc(CO)o2)c1
InChIInChI=1S/C13H15N3O3/c14-13(18)16-10-3-1-2-9(6-10)15-7-11-4-5-12(8-17)19-11/h1-6,15,17H,7-8H2,(H3,14,16,18)
InChIKeyGIMJZYBAVVLXBW-UHFFFAOYSA-N
XLogP1.87
TPSA100.52 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 51.87
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[5-(hydroxymethyl)furan-2-yl]methylamino]phenol
CID 64578022
2-[3-[[5-(hydroxymethyl)furan-2-yl]methylamino]phenoxy]acetamide
CID 64579004
[3-[(2-hydroxyphenyl)methylamino]phenyl]urea
CID 43744546
[5-[[3-(dimethylamino)anilino]methyl]furan-2-yl]methanol
CID 113297533
[3-[(2,4,6-trimethylphenyl)methylamino]phenyl]urea
CID 43744507
[5-[[3-(1,3,4-oxadiazol-2-yl)anilino]methyl]furan-2-yl]methanol
CID 64579745
[3-(2,3-dihydroxypropylamino)phenyl]urea
CID 23202913
[3-[(3,4-dichlorophenyl)methylamino]phenyl]urea
CID 43744497
5-[[3-(hydroxymethyl)anilino]methyl]furan-2-carboxylic acid
CID 63316697
[3-[(3-nitrophenyl)methylamino]phenyl]urea
CID 43744457
N-[3-[(5-cyanofuran-2-yl)methylamino]phenyl]acetamide
CID 115652476
[3-(prop-2-ynylamino)phenyl]urea
CID 63951484

Frequently Asked Questions

What is the IUPAC name of [3-[[5-(hydroxymethyl)furan-2-yl]methylamino]phenyl]urea?
The IUPAC name of [3-[[5-(hydroxymethyl)furan-2-yl]methylamino]phenyl]urea (CID 64591407) is [3-[[5-(hydroxymethyl)furan-2-yl]methylamino]phenyl]urea.
What is the SMILES notation for [3-[[5-(hydroxymethyl)furan-2-yl]methylamino]phenyl]urea?
The canonical SMILES for [3-[[5-(hydroxymethyl)furan-2-yl]methylamino]phenyl]urea is NC(=O)Nc1cccc(NCc2ccc(CO)o2)c1.
What is the InChIKey of [3-[[5-(hydroxymethyl)furan-2-yl]methylamino]phenyl]urea?
The InChIKey is GIMJZYBAVVLXBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3/c14-13(18)16-10-3-1-2-9(6-10)15-7-11-4-5-12(8-17)19-11/h1-6,15,17H,7-8H2,(H3,14,16,18).
What are the key properties of [3-[[5-(hydroxymethyl)furan-2-yl]methylamino]phenyl]urea?
[3-[[5-(hydroxymethyl)furan-2-yl]methylamino]phenyl]urea has a molecular weight of 261.28 g/mol, XLogP of 1.87, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[5-(hydroxymethyl)furan-2-yl]methylamino]phenyl]urea is sourced from PubChem (CID 64591407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).