1-(3,5-difluorophenyl)-3-(2-piperidin-1-ylpyrimidin-5-yl)urea

C16H17F2N5O — CID 122298481

IUPAC1-(3,5-difluorophenyl)-3-(2-piperidin-1-ylpyrimidin-5-yl)urea
SMILESO=C(Nc1cnc(N2CCCCC2)nc1)Nc1cc(F)cc(F)c1
InChIInChI=1S/C16H17F2N5O/c17-11-6-12(18)8-13(7-11)21-16(24)22-14-9-19-15(20-10-14)23-4-2-1-3-5-23/h6-10H,1-5H2,(H2,21,22,24)
InChIKeyXOEABKABSLPFTF-UHFFFAOYSA-N
MW333.34 g/mol
LogP3.39
Rot. Bonds3

About 1-(3,5-difluorophenyl)-3-(2-piperidin-1-ylpyrimidin-5-yl)urea

1-(3,5-difluorophenyl)-3-(2-piperidin-1-ylpyrimidin-5-yl)urea (PubChem CID 122298481) has the molecular formula C16H17F2N5O and a molecular weight of 333.34 g/mol. Its IUPAC name is 1-(3,5-difluorophenyl)-3-(2-piperidin-1-ylpyrimidin-5-yl)urea.

Molecular Properties

Compound Name1-(3,5-difluorophenyl)-3-(2-piperidin-1-ylpyrimidin-5-yl)urea
PubChem CID122298481
Molecular FormulaC16H17F2N5O
Molecular Weight333.34 g/mol
Exact Mass333.14
IUPAC Name1-(3,5-difluorophenyl)-3-(2-piperidin-1-ylpyrimidin-5-yl)urea
SMILESO=C(Nc1cnc(N2CCCCC2)nc1)Nc1cc(F)cc(F)c1
InChIInChI=1S/C16H17F2N5O/c17-11-6-12(18)8-13(7-11)21-16(24)22-14-9-19-15(20-10-14)23-4-2-1-3-5-23/h6-10H,1-5H2,(H2,21,22,24)
InChIKeyXOEABKABSLPFTF-UHFFFAOYSA-N
XLogP3.39
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.34
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,4-dimethylphenyl)-3-(2-piperidin-1-ylpyrimidin-5-yl)urea
CID 122298482
1-(4-tert-butylphenyl)-3-(2-piperidin-1-ylpyrimidin-5-yl)urea
CID 122298783
3-fluoro-N-(2-piperidin-1-ylpyrimidin-5-yl)benzamide
CID 53014760
1-(4-methoxyphenyl)-3-(2-piperidin-1-ylpyrimidin-5-yl)urea
CID 122298472
1-(2,4-dimethylphenyl)-3-(2-pyrrolidin-1-ylpyrimidin-5-yl)urea
CID 91968079
3-fluoro-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzamide
CID 53014754
1-(3,5-difluorophenyl)-3-[4-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)amino]phenyl]urea
CID 53048053
2-(4-fluorophenoxy)-N-(2-piperidin-1-ylpyrimidin-5-yl)acetamide
CID 53164713
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(2-pyrrolidin-1-ylpyrimidin-5-yl)urea
CID 71790110
1-(3-fluorophenyl)-3-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]urea
CID 122299621
3,4-difluoro-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzamide
CID 53164633
2,6-difluoro-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzamide
CID 53164645

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-difluorophenyl)-3-(2-piperidin-1-ylpyrimidin-5-yl)urea?
The IUPAC name of 1-(3,5-difluorophenyl)-3-(2-piperidin-1-ylpyrimidin-5-yl)urea (CID 122298481) is 1-(3,5-difluorophenyl)-3-(2-piperidin-1-ylpyrimidin-5-yl)urea.
What is the SMILES notation for 1-(3,5-difluorophenyl)-3-(2-piperidin-1-ylpyrimidin-5-yl)urea?
The canonical SMILES for 1-(3,5-difluorophenyl)-3-(2-piperidin-1-ylpyrimidin-5-yl)urea is O=C(Nc1cnc(N2CCCCC2)nc1)Nc1cc(F)cc(F)c1.
What is the InChIKey of 1-(3,5-difluorophenyl)-3-(2-piperidin-1-ylpyrimidin-5-yl)urea?
The InChIKey is XOEABKABSLPFTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2N5O/c17-11-6-12(18)8-13(7-11)21-16(24)22-14-9-19-15(20-10-14)23-4-2-1-3-5-23/h6-10H,1-5H2,(H2,21,22,24).
What are the key properties of 1-(3,5-difluorophenyl)-3-(2-piperidin-1-ylpyrimidin-5-yl)urea?
1-(3,5-difluorophenyl)-3-(2-piperidin-1-ylpyrimidin-5-yl)urea has a molecular weight of 333.34 g/mol, XLogP of 3.39, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-difluorophenyl)-3-(2-piperidin-1-ylpyrimidin-5-yl)urea is sourced from PubChem (CID 122298481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).