1-methyl-1-(1-methylpiperidin-4-yl)-3-(2-phenoxypyrimidin-5-yl)urea

C18H23N5O2 — CID 166280765

IUPAC1-methyl-1-(1-methylpiperidin-4-yl)-3-(2-phenoxypyrimidin-5-yl)urea
SMILESCN1CCC(N(C)C(=O)Nc2cnc(Oc3ccccc3)nc2)CC1
InChIInChI=1S/C18H23N5O2/c1-22-10-8-15(9-11-22)23(2)18(24)21-14-12-19-17(20-13-14)25-16-6-4-3-5-7-16/h3-7,12-13,15H,8-11H2,1-2H3,(H,21,24)
InChIKeyHZZUYYHWVVNFKR-UHFFFAOYSA-N
MW341.42 g/mol
LogP2.83
Rot. Bonds4

About 1-methyl-1-(1-methylpiperidin-4-yl)-3-(2-phenoxypyrimidin-5-yl)urea

1-methyl-1-(1-methylpiperidin-4-yl)-3-(2-phenoxypyrimidin-5-yl)urea (PubChem CID 166280765) has the molecular formula C18H23N5O2 and a molecular weight of 341.42 g/mol. Its IUPAC name is 1-methyl-1-(1-methylpiperidin-4-yl)-3-(2-phenoxypyrimidin-5-yl)urea.

Molecular Properties

Compound Name1-methyl-1-(1-methylpiperidin-4-yl)-3-(2-phenoxypyrimidin-5-yl)urea
PubChem CID166280765
Molecular FormulaC18H23N5O2
Molecular Weight341.42 g/mol
Exact Mass341.19
IUPAC Name1-methyl-1-(1-methylpiperidin-4-yl)-3-(2-phenoxypyrimidin-5-yl)urea
SMILESCN1CCC(N(C)C(=O)Nc2cnc(Oc3ccccc3)nc2)CC1
InChIInChI=1S/C18H23N5O2/c1-22-10-8-15(9-11-22)23(2)18(24)21-14-12-19-17(20-13-14)25-16-6-4-3-5-7-16/h3-7,12-13,15H,8-11H2,1-2H3,(H,21,24)
InChIKeyHZZUYYHWVVNFKR-UHFFFAOYSA-N
XLogP2.83
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-methyl-1-(1-methylpiperidin-4-yl)-3-(2-phenoxypyrimidin-5-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

Related Compounds

deuterium monohydride;1-methyl-1-(1-methylpiperidin-4-yl)-3-(6-phenyl-3-pyridinyl)urea
CID 161217615
N-[3-[[methyl-(1-methylpiperidin-4-yl)carbamoyl]amino]phenyl]acetamide
CID 108884073
3-[4-(dimethylamino)phenyl]-1-methyl-1-(1-methylpiperidin-4-yl)urea
CID 108894718
3-(3-hydroxyphenyl)-1-methyl-1-(1-methylpiperidin-4-yl)urea
CID 108895704
3-(2,6-dimethoxyphenyl)-1-methyl-1-(1-methylpiperidin-4-yl)urea
CID 108867823
3-[[methyl-(1-methylpiperidin-4-yl)carbamoyl]amino]pyridine-2-carboxylic acid
CID 104743192
1-(2-phenoxypyrimidin-5-yl)-3-phenylurea
CID 122302271
2,2-dimethyl-N-(2-phenoxypyrimidin-5-yl)propanamide
CID 122302193
3-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-1-methyl-1-(1-methylpiperidin-4-yl)urea
CID 136571775
N-(2-phenoxypyrimidin-5-yl)benzamide
CID 122302199
4-(dimethylamino)-N-(2-phenoxypyrimidin-5-yl)benzamide
CID 122302379
1-methyl-3-(1-methylindol-3-yl)-1-(1-methylpiperidin-4-yl)urea
CID 16813051

Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-(1-methylpiperidin-4-yl)-3-(2-phenoxypyrimidin-5-yl)urea?
The IUPAC name of 1-methyl-1-(1-methylpiperidin-4-yl)-3-(2-phenoxypyrimidin-5-yl)urea (CID 166280765) is 1-methyl-1-(1-methylpiperidin-4-yl)-3-(2-phenoxypyrimidin-5-yl)urea.
What is the SMILES notation for 1-methyl-1-(1-methylpiperidin-4-yl)-3-(2-phenoxypyrimidin-5-yl)urea?
The canonical SMILES for 1-methyl-1-(1-methylpiperidin-4-yl)-3-(2-phenoxypyrimidin-5-yl)urea is CN1CCC(N(C)C(=O)Nc2cnc(Oc3ccccc3)nc2)CC1.
What is the InChIKey of 1-methyl-1-(1-methylpiperidin-4-yl)-3-(2-phenoxypyrimidin-5-yl)urea?
The InChIKey is HZZUYYHWVVNFKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2/c1-22-10-8-15(9-11-22)23(2)18(24)21-14-12-19-17(20-13-14)25-16-6-4-3-5-7-16/h3-7,12-13,15H,8-11H2,1-2H3,(H,21,24).
What are the key properties of 1-methyl-1-(1-methylpiperidin-4-yl)-3-(2-phenoxypyrimidin-5-yl)urea?
1-methyl-1-(1-methylpiperidin-4-yl)-3-(2-phenoxypyrimidin-5-yl)urea has a molecular weight of 341.42 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-(1-methylpiperidin-4-yl)-3-(2-phenoxypyrimidin-5-yl)urea is sourced from PubChem (CID 166280765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).