1-methyl-3-[4-[(1-methylpyrrol-2-yl)methylamino]phenyl]urea

C14H18N4O — CID 62131330

IUPAC1-methyl-3-[4-[(1-methylpyrrol-2-yl)methylamino]phenyl]urea
SMILESCNC(=O)Nc1ccc(NCc2cccn2C)cc1
InChIInChI=1S/C14H18N4O/c1-15-14(19)17-12-7-5-11(6-8-12)16-10-13-4-3-9-18(13)2/h3-9,16H,10H2,1-2H3,(H2,15,17,19)
InChIKeyPTKOZNVATOZMMW-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.39
Rot. Bonds4

About 1-methyl-3-[4-[(1-methylpyrrol-2-yl)methylamino]phenyl]urea

1-methyl-3-[4-[(1-methylpyrrol-2-yl)methylamino]phenyl]urea (PubChem CID 62131330) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 1-methyl-3-[4-[(1-methylpyrrol-2-yl)methylamino]phenyl]urea.

Molecular Properties

Compound Name1-methyl-3-[4-[(1-methylpyrrol-2-yl)methylamino]phenyl]urea
PubChem CID62131330
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name1-methyl-3-[4-[(1-methylpyrrol-2-yl)methylamino]phenyl]urea
SMILESCNC(=O)Nc1ccc(NCc2cccn2C)cc1
InChIInChI=1S/C14H18N4O/c1-15-14(19)17-12-7-5-11(6-8-12)16-10-13-4-3-9-18(13)2/h3-9,16H,10H2,1-2H3,(H2,15,17,19)
InChIKeyPTKOZNVATOZMMW-UHFFFAOYSA-N
XLogP2.39
TPSA58.09 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-3-[4-[(1-propylpyrrol-2-yl)methylamino]phenyl]urea
CID 66412531
4-iodo-N-[(1-methylpyrrol-2-yl)methyl]aniline
CID 28876919
4-ethyl-N-[(1-methylpyrrol-2-yl)methyl]aniline
CID 28877030
N-[2-fluoro-5-[(1-methylpyrrol-2-yl)methylamino]phenyl]acetamide
CID 55039179
methyl N-[3-[(1-methylpyrrol-2-yl)methylamino]phenyl]carbamate
CID 55039229
1-[4-[(2,6-difluorophenyl)methylamino]phenyl]-3-methylurea
CID 43744335
N-methyl-2-[3-[(1-methylpyrrol-2-yl)methylamino]phenoxy]acetamide
CID 62129281
1-[4-[(2-fluorophenyl)methylamino]phenyl]-3-methylurea
CID 43744437
1-methyl-3-[4-(1H-pyrrol-3-ylmethylamino)phenyl]urea
CID 66407217
3-chloro-2,2-dimethyl-N-[4-(methylcarbamoylamino)phenyl]propanamide
CID 63680187
N,3-dimethyl-2-[(1-methylpyrrol-2-yl)methylamino]butanamide
CID 115747414
1-[4-(2,2-dimethylpropylamino)phenyl]-3-methylurea
CID 61324339

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[4-[(1-methylpyrrol-2-yl)methylamino]phenyl]urea?
The IUPAC name of 1-methyl-3-[4-[(1-methylpyrrol-2-yl)methylamino]phenyl]urea (CID 62131330) is 1-methyl-3-[4-[(1-methylpyrrol-2-yl)methylamino]phenyl]urea.
What is the SMILES notation for 1-methyl-3-[4-[(1-methylpyrrol-2-yl)methylamino]phenyl]urea?
The canonical SMILES for 1-methyl-3-[4-[(1-methylpyrrol-2-yl)methylamino]phenyl]urea is CNC(=O)Nc1ccc(NCc2cccn2C)cc1.
What is the InChIKey of 1-methyl-3-[4-[(1-methylpyrrol-2-yl)methylamino]phenyl]urea?
The InChIKey is PTKOZNVATOZMMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-15-14(19)17-12-7-5-11(6-8-12)16-10-13-4-3-9-18(13)2/h3-9,16H,10H2,1-2H3,(H2,15,17,19).
What are the key properties of 1-methyl-3-[4-[(1-methylpyrrol-2-yl)methylamino]phenyl]urea?
1-methyl-3-[4-[(1-methylpyrrol-2-yl)methylamino]phenyl]urea has a molecular weight of 258.32 g/mol, XLogP of 2.39, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[4-[(1-methylpyrrol-2-yl)methylamino]phenyl]urea is sourced from PubChem (CID 62131330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).