1-[2-(2,5-difluorophenyl)ethyl]-3-[(2-methylpyrimidin-4-yl)methyl]urea

C15H16F2N4O — CID 71981705

IUPAC1-[2-(2,5-difluorophenyl)ethyl]-3-[(2-methylpyrimidin-4-yl)methyl]urea
SMILESCc1nccc(CNC(=O)NCCc2cc(F)ccc2F)n1
InChIInChI=1S/C15H16F2N4O/c1-10-18-7-5-13(21-10)9-20-15(22)19-6-4-11-8-12(16)2-3-14(11)17/h2-3,5,7-8H,4,6,9H2,1H3,(H2,19,20,22)
InChIKeyGYOKTHLBZBOJLX-UHFFFAOYSA-N
MW306.32 g/mol
LogP2.11
Rot. Bonds5

About 1-[2-(2,5-difluorophenyl)ethyl]-3-[(2-methylpyrimidin-4-yl)methyl]urea

1-[2-(2,5-difluorophenyl)ethyl]-3-[(2-methylpyrimidin-4-yl)methyl]urea (PubChem CID 71981705) has the molecular formula C15H16F2N4O and a molecular weight of 306.32 g/mol. Its IUPAC name is 1-[2-(2,5-difluorophenyl)ethyl]-3-[(2-methylpyrimidin-4-yl)methyl]urea.

Molecular Properties

Compound Name1-[2-(2,5-difluorophenyl)ethyl]-3-[(2-methylpyrimidin-4-yl)methyl]urea
PubChem CID71981705
Molecular FormulaC15H16F2N4O
Molecular Weight306.32 g/mol
Exact Mass306.13
IUPAC Name1-[2-(2,5-difluorophenyl)ethyl]-3-[(2-methylpyrimidin-4-yl)methyl]urea
SMILESCc1nccc(CNC(=O)NCCc2cc(F)ccc2F)n1
InChIInChI=1S/C15H16F2N4O/c1-10-18-7-5-13(21-10)9-20-15(22)19-6-4-11-8-12(16)2-3-14(11)17/h2-3,5,7-8H,4,6,9H2,1H3,(H2,19,20,22)
InChIKeyGYOKTHLBZBOJLX-UHFFFAOYSA-N
XLogP2.11
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2,5-difluorophenyl)ethyl]-3-(2-hydroxyethyl)urea
CID 111573173
1-[(4-chlorophenyl)methyl]-3-[(2-methylpyrimidin-4-yl)methyl]urea
CID 47323613
1-[(4-ethoxy-3-fluorophenyl)methyl]-3-[(2-methylpyrimidin-4-yl)methyl]urea
CID 56781467
1-[2-(2,5-difluorophenyl)ethyl]-3-(3-hydroxypropyl)urea
CID 71981439
1-[2-(5-bromo-2-fluorophenyl)ethyl]-3-(pyridin-2-ylmethyl)urea
CID 48629926
4-[2-(2,5-difluorophenyl)ethylcarbamoylamino]-N,N-dimethylpyridine-2-carboxamide
CID 71865628
3-amino-4-fluoro-N-[(2-methylpyrimidin-4-yl)methyl]benzamide
CID 61138905
N-[2-(2,5-difluorophenyl)ethyl]propanamide
CID 71113752
2-amino-N-[2-(2,5-difluorophenyl)ethyl]acetamide
CID 82492756
2-(2,5-difluorophenyl)ethylurea
CID 115168493
1-amino-N-[2-(2,5-difluorophenyl)ethyl]cyclopropane-1-carboxamide
CID 115189941
N-[2-(2,5-difluorophenyl)ethyl]-2-(2-fluorophenyl)acetamide
CID 110788190

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,5-difluorophenyl)ethyl]-3-[(2-methylpyrimidin-4-yl)methyl]urea?
The IUPAC name of 1-[2-(2,5-difluorophenyl)ethyl]-3-[(2-methylpyrimidin-4-yl)methyl]urea (CID 71981705) is 1-[2-(2,5-difluorophenyl)ethyl]-3-[(2-methylpyrimidin-4-yl)methyl]urea.
What is the SMILES notation for 1-[2-(2,5-difluorophenyl)ethyl]-3-[(2-methylpyrimidin-4-yl)methyl]urea?
The canonical SMILES for 1-[2-(2,5-difluorophenyl)ethyl]-3-[(2-methylpyrimidin-4-yl)methyl]urea is Cc1nccc(CNC(=O)NCCc2cc(F)ccc2F)n1.
What is the InChIKey of 1-[2-(2,5-difluorophenyl)ethyl]-3-[(2-methylpyrimidin-4-yl)methyl]urea?
The InChIKey is GYOKTHLBZBOJLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F2N4O/c1-10-18-7-5-13(21-10)9-20-15(22)19-6-4-11-8-12(16)2-3-14(11)17/h2-3,5,7-8H,4,6,9H2,1H3,(H2,19,20,22).
What are the key properties of 1-[2-(2,5-difluorophenyl)ethyl]-3-[(2-methylpyrimidin-4-yl)methyl]urea?
1-[2-(2,5-difluorophenyl)ethyl]-3-[(2-methylpyrimidin-4-yl)methyl]urea has a molecular weight of 306.32 g/mol, XLogP of 2.11, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,5-difluorophenyl)ethyl]-3-[(2-methylpyrimidin-4-yl)methyl]urea is sourced from PubChem (CID 71981705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).