1-(2,5-difluorophenyl)-3-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)methyl]urea

C18H21F2N5O — CID 122318167

IUPAC1-(2,5-difluorophenyl)-3-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)methyl]urea
SMILESCc1cc(N2CCCCC2)nc(CNC(=O)Nc2cc(F)ccc2F)n1
InChIInChI=1S/C18H21F2N5O/c1-12-9-17(25-7-3-2-4-8-25)24-16(22-12)11-21-18(26)23-15-10-13(19)5-6-14(15)20/h5-6,9-10H,2-4,7-8,11H2,1H3,(H2,21,23,26)
InChIKeyGFTUCMOQGUFBII-UHFFFAOYSA-N
MW361.40 g/mol
LogP3.38
Rot. Bonds4

About 1-(2,5-difluorophenyl)-3-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)methyl]urea

1-(2,5-difluorophenyl)-3-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)methyl]urea (PubChem CID 122318167) has the molecular formula C18H21F2N5O and a molecular weight of 361.40 g/mol. Its IUPAC name is 1-(2,5-difluorophenyl)-3-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)methyl]urea.

Molecular Properties

Compound Name1-(2,5-difluorophenyl)-3-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)methyl]urea
PubChem CID122318167
Molecular FormulaC18H21F2N5O
Molecular Weight361.40 g/mol
Exact Mass361.17
IUPAC Name1-(2,5-difluorophenyl)-3-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)methyl]urea
SMILESCc1cc(N2CCCCC2)nc(CNC(=O)Nc2cc(F)ccc2F)n1
InChIInChI=1S/C18H21F2N5O/c1-12-9-17(25-7-3-2-4-8-25)24-16(22-12)11-21-18(26)23-15-10-13(19)5-6-14(15)20/h5-6,9-10H,2-4,7-8,11H2,1H3,(H2,21,23,26)
InChIKeyGFTUCMOQGUFBII-UHFFFAOYSA-N
XLogP3.38
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,5-difluorophenyl)-3-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]urea
CID 122318998
1-(3-fluoro-4-methylphenyl)-3-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)methyl]urea
CID 122318124
1-(2,4-dimethylphenyl)-3-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)methyl]urea
CID 122318117
1-(2-ethylphenyl)-3-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)methyl]urea
CID 122318115
1-(2-methoxyphenyl)-3-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]urea
CID 71807403
(E)-3-(2,5-difluorophenyl)-N-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)methyl]prop-2-enamide
CID 122318327
2,3,4-trifluoro-N-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)methyl]benzamide
CID 122318276
1-(2,3-dimethylphenyl)-3-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]urea
CID 122317720
1-(3,4-dimethoxyphenyl)-3-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)methyl]urea
CID 122318416
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]urea
CID 122317727
N-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)methyl]pyrimidine-2-carboxamide
CID 121137147
3-fluoro-4-methoxy-N-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]benzamide
CID 122317873

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluorophenyl)-3-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)methyl]urea?
The IUPAC name of 1-(2,5-difluorophenyl)-3-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)methyl]urea (CID 122318167) is 1-(2,5-difluorophenyl)-3-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)methyl]urea.
What is the SMILES notation for 1-(2,5-difluorophenyl)-3-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)methyl]urea?
The canonical SMILES for 1-(2,5-difluorophenyl)-3-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)methyl]urea is Cc1cc(N2CCCCC2)nc(CNC(=O)Nc2cc(F)ccc2F)n1.
What is the InChIKey of 1-(2,5-difluorophenyl)-3-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)methyl]urea?
The InChIKey is GFTUCMOQGUFBII-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F2N5O/c1-12-9-17(25-7-3-2-4-8-25)24-16(22-12)11-21-18(26)23-15-10-13(19)5-6-14(15)20/h5-6,9-10H,2-4,7-8,11H2,1H3,(H2,21,23,26).
What are the key properties of 1-(2,5-difluorophenyl)-3-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)methyl]urea?
1-(2,5-difluorophenyl)-3-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)methyl]urea has a molecular weight of 361.40 g/mol, XLogP of 3.38, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluorophenyl)-3-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)methyl]urea is sourced from PubChem (CID 122318167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).