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

C19H25N5O — CID 91966673

IUPAC1-(2,4-dimethylphenyl)-3-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]urea
SMILESCc1ccc(NC(=O)NCc2nccc(N3CCCCC3)n2)c(C)c1
InChIInChI=1S/C19H25N5O/c1-14-6-7-16(15(2)12-14)22-19(25)21-13-17-20-9-8-18(23-17)24-10-4-3-5-11-24/h6-9,12H,3-5,10-11,13H2,1-2H3,(H2,21,22,25)
InChIKeyPEKSXCHFBDFJRY-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.41
Rot. Bonds4

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

1-(2,4-dimethylphenyl)-3-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]urea (PubChem CID 91966673) has the molecular formula C19H25N5O and a molecular weight of 339.44 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)-3-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]urea.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)-3-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]urea
PubChem CID91966673
Molecular FormulaC19H25N5O
Molecular Weight339.44 g/mol
Exact Mass339.21
IUPAC Name1-(2,4-dimethylphenyl)-3-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]urea
SMILESCc1ccc(NC(=O)NCc2nccc(N3CCCCC3)n2)c(C)c1
InChIInChI=1S/C19H25N5O/c1-14-6-7-16(15(2)12-14)22-19(25)21-13-17-20-9-8-18(23-17)24-10-4-3-5-11-24/h6-9,12H,3-5,10-11,13H2,1-2H3,(H2,21,22,25)
InChIKeyPEKSXCHFBDFJRY-UHFFFAOYSA-N
XLogP3.41
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,4-dimethylphenyl)-3-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)methyl]urea
CID 122318117
1-(3-methylphenyl)-3-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]urea
CID 91966659
1-(5-chloro-2,4-dimethoxyphenyl)-3-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]urea
CID 91966662
1-(3,4-difluorophenyl)-3-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]urea
CID 122318446
1-(4-tert-butylphenyl)-3-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]urea
CID 122317628
1-(4-fluorophenyl)-3-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]urea
CID 91966542
1-(2,4-dimethylphenyl)-3-[2-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]ethyl]urea
CID 121075665
1-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]-3-[2-(trifluoromethoxy)phenyl]urea
CID 122318452
N-(2,4-dimethylphenyl)-4-(2-pyrrolidin-1-ylpyrimidin-4-yl)piperazine-1-carboxamide
CID 56921853
N-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]propanamide
CID 121137119
1-(1,3-benzodioxol-5-yl)-3-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]urea
CID 91966664
2-(4-methylphenoxy)-N-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]acetamide
CID 122317423

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)-3-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]urea?
The IUPAC name of 1-(2,4-dimethylphenyl)-3-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]urea (CID 91966673) is 1-(2,4-dimethylphenyl)-3-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]urea.
What is the SMILES notation for 1-(2,4-dimethylphenyl)-3-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]urea?
The canonical SMILES for 1-(2,4-dimethylphenyl)-3-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]urea is Cc1ccc(NC(=O)NCc2nccc(N3CCCCC3)n2)c(C)c1.
What is the InChIKey of 1-(2,4-dimethylphenyl)-3-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]urea?
The InChIKey is PEKSXCHFBDFJRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O/c1-14-6-7-16(15(2)12-14)22-19(25)21-13-17-20-9-8-18(23-17)24-10-4-3-5-11-24/h6-9,12H,3-5,10-11,13H2,1-2H3,(H2,21,22,25).
What are the key properties of 1-(2,4-dimethylphenyl)-3-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]urea?
1-(2,4-dimethylphenyl)-3-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]urea has a molecular weight of 339.44 g/mol, XLogP of 3.41, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)-3-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]urea is sourced from PubChem (CID 91966673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).