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

C18H21F2N5O — CID 23609671

IUPAC1-(2,4-difluorophenyl)-3-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]urea
SMILESCc1cc(C)nc(N2CCC(NC(=O)Nc3ccc(F)cc3F)CC2)n1
InChIInChI=1S/C18H21F2N5O/c1-11-9-12(2)22-17(21-11)25-7-5-14(6-8-25)23-18(26)24-16-4-3-13(19)10-15(16)20/h3-4,9-10,14H,5-8H2,1-2H3,(H2,23,24,26)
InChIKeyOKGBUSKLMZLEBJ-UHFFFAOYSA-N
MW361.40 g/mol
LogP3.16
Rot. Bonds3

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

1-(2,4-difluorophenyl)-3-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]urea (PubChem CID 23609671) has the molecular formula C18H21F2N5O and a molecular weight of 361.40 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-3-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]urea.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-3-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]urea
PubChem CID23609671
Molecular FormulaC18H21F2N5O
Molecular Weight361.40 g/mol
Exact Mass361.17
IUPAC Name1-(2,4-difluorophenyl)-3-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]urea
SMILESCc1cc(C)nc(N2CCC(NC(=O)Nc3ccc(F)cc3F)CC2)n1
InChIInChI=1S/C18H21F2N5O/c1-11-9-12(2)22-17(21-11)25-7-5-14(6-8-25)23-18(26)24-16-4-3-13(19)10-15(16)20/h3-4,9-10,14H,5-8H2,1-2H3,(H2,23,24,26)
InChIKeyOKGBUSKLMZLEBJ-UHFFFAOYSA-N
XLogP3.16
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(2,4-difluorophenyl)-3-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-3-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]urea?
The IUPAC name of 1-(2,4-difluorophenyl)-3-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]urea (CID 23609671) is 1-(2,4-difluorophenyl)-3-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]urea.
What is the SMILES notation for 1-(2,4-difluorophenyl)-3-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]urea?
The canonical SMILES for 1-(2,4-difluorophenyl)-3-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]urea is Cc1cc(C)nc(N2CCC(NC(=O)Nc3ccc(F)cc3F)CC2)n1.
What is the InChIKey of 1-(2,4-difluorophenyl)-3-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]urea?
The InChIKey is OKGBUSKLMZLEBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F2N5O/c1-11-9-12(2)22-17(21-11)25-7-5-14(6-8-25)23-18(26)24-16-4-3-13(19)10-15(16)20/h3-4,9-10,14H,5-8H2,1-2H3,(H2,23,24,26).
What are the key properties of 1-(2,4-difluorophenyl)-3-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]urea?
1-(2,4-difluorophenyl)-3-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]urea has a molecular weight of 361.40 g/mol, XLogP of 3.16, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-3-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]urea is sourced from PubChem (CID 23609671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).