1-(2,6-difluorophenyl)-3-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]urea

C17H19F2N5O — CID 122353062

IUPAC1-(2,6-difluorophenyl)-3-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]urea
SMILESO=C(NCc1ccnc(N2CCCCC2)n1)Nc1c(F)cccc1F
InChIInChI=1S/C17H19F2N5O/c18-13-5-4-6-14(19)15(13)23-17(25)21-11-12-7-8-20-16(22-12)24-9-2-1-3-10-24/h4-8H,1-3,9-11H2,(H2,21,23,25)
InChIKeyXYOWATPQKVEXSY-UHFFFAOYSA-N
MW347.37 g/mol
LogP3.07
Rot. Bonds4

About 1-(2,6-difluorophenyl)-3-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]urea

1-(2,6-difluorophenyl)-3-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]urea (PubChem CID 122353062) has the molecular formula C17H19F2N5O and a molecular weight of 347.37 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-3-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]urea.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-3-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]urea
PubChem CID122353062
Molecular FormulaC17H19F2N5O
Molecular Weight347.37 g/mol
Exact Mass347.16
IUPAC Name1-(2,6-difluorophenyl)-3-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]urea
SMILESO=C(NCc1ccnc(N2CCCCC2)n1)Nc1c(F)cccc1F
InChIInChI=1S/C17H19F2N5O/c18-13-5-4-6-14(19)15(13)23-17(25)21-11-12-7-8-20-16(22-12)24-9-2-1-3-10-24/h4-8H,1-3,9-11H2,(H2,21,23,25)
InChIKeyXYOWATPQKVEXSY-UHFFFAOYSA-N
XLogP3.07
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-fluoro-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]benzamide
CID 72718326
1-(2-chlorophenyl)-3-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]urea
CID 91967285
1-(3-chlorophenyl)-3-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]urea
CID 72718331
1-(2,3-dimethylphenyl)-3-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]urea
CID 91967166
2-(azepan-1-yl)-N-(2,6-difluorophenyl)pyrimidine-4-carboxamide
CID 109313282
2,3,4-trifluoro-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]benzamide
CID 122353165
2-(2-chloro-6-fluorophenyl)-N-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]acetamide
CID 122352101
1-(3-ethylphenyl)-3-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]urea
CID 91967155
4-fluoro-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]benzamide
CID 91967226
2-naphthalen-1-yl-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]acetamide
CID 122353105
3-fluoro-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]pyridine-4-carboxamide
CID 122353231
2,6-difluoro-N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]benzamide
CID 91967358

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-3-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]urea?
The IUPAC name of 1-(2,6-difluorophenyl)-3-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]urea (CID 122353062) is 1-(2,6-difluorophenyl)-3-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]urea.
What is the SMILES notation for 1-(2,6-difluorophenyl)-3-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]urea?
The canonical SMILES for 1-(2,6-difluorophenyl)-3-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]urea is O=C(NCc1ccnc(N2CCCCC2)n1)Nc1c(F)cccc1F.
What is the InChIKey of 1-(2,6-difluorophenyl)-3-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]urea?
The InChIKey is XYOWATPQKVEXSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2N5O/c18-13-5-4-6-14(19)15(13)23-17(25)21-11-12-7-8-20-16(22-12)24-9-2-1-3-10-24/h4-8H,1-3,9-11H2,(H2,21,23,25).
What are the key properties of 1-(2,6-difluorophenyl)-3-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]urea?
1-(2,6-difluorophenyl)-3-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]urea has a molecular weight of 347.37 g/mol, XLogP of 3.07, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorophenyl)-3-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]urea is sourced from PubChem (CID 122353062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).