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

C21H24N6O2 — CID 126787318

IUPAC1-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-3-[3-(1,3-oxazol-2-yl)phenyl]urea
SMILESCc1cc(N2CCC(NC(=O)Nc3cccc(-c4ncco4)c3)CC2)nc(C)n1
InChIInChI=1S/C21H24N6O2/c1-14-12-19(24-15(2)23-14)27-9-6-17(7-10-27)25-21(28)26-18-5-3-4-16(13-18)20-22-8-11-29-20/h3-5,8,11-13,17H,6-7,9-10H2,1-2H3,(H2,25,26,28)
InChIKeyVITDHHFIOHBITI-UHFFFAOYSA-N
MW392.46 g/mol
LogP3.54
Rot. Bonds4

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

1-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-3-[3-(1,3-oxazol-2-yl)phenyl]urea (PubChem CID 126787318) has the molecular formula C21H24N6O2 and a molecular weight of 392.46 g/mol. Its IUPAC name is 1-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-3-[3-(1,3-oxazol-2-yl)phenyl]urea.

Molecular Properties

Compound Name1-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-3-[3-(1,3-oxazol-2-yl)phenyl]urea
PubChem CID126787318
Molecular FormulaC21H24N6O2
Molecular Weight392.46 g/mol
Exact Mass392.20
IUPAC Name1-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-3-[3-(1,3-oxazol-2-yl)phenyl]urea
SMILESCc1cc(N2CCC(NC(=O)Nc3cccc(-c4ncco4)c3)CC2)nc(C)n1
InChIInChI=1S/C21H24N6O2/c1-14-12-19(24-15(2)23-14)27-9-6-17(7-10-27)25-21(28)26-18-5-3-4-16(13-18)20-22-8-11-29-20/h3-5,8,11-13,17H,6-7,9-10H2,1-2H3,(H2,25,26,28)
InChIKeyVITDHHFIOHBITI-UHFFFAOYSA-N
XLogP3.54
TPSA96.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Related Compounds

1-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-3-(1-ethylpyrazol-4-yl)urea
CID 84585882
1-cyclohexyl-3-[3-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]urea
CID 70674637
N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-6-methylpyridine-3-carboxamide
CID 71977383
1-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-3-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea
CID 136580514
4-acetyl-N-[3-(1,3-oxazol-2-yl)phenyl]piperazine-1-carboxamide
CID 75388652
N-[3-(1,3-oxazol-2-yl)phenyl]-2-thiomorpholin-4-ylpropanamide
CID 75388529
1-cyclohexyl-3-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]urea
CID 110748367
N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-3-pyridin-2-ylpropanamide
CID 71977381
N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-2-methyl-3-(methylamino)propanamide
CID 119897687
1-(3-methoxyphenyl)-3-(1-pyridin-2-ylpiperidin-4-yl)urea
CID 86989093
N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-3-ethoxybenzamide
CID 136512750
1-cycloheptyl-3-[3-(1,3,4-oxadiazol-2-yl)phenyl]urea
CID 47033580

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-3-[3-(1,3-oxazol-2-yl)phenyl]urea?
The IUPAC name of 1-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-3-[3-(1,3-oxazol-2-yl)phenyl]urea (CID 126787318) is 1-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-3-[3-(1,3-oxazol-2-yl)phenyl]urea.
What is the SMILES notation for 1-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-3-[3-(1,3-oxazol-2-yl)phenyl]urea?
The canonical SMILES for 1-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-3-[3-(1,3-oxazol-2-yl)phenyl]urea is Cc1cc(N2CCC(NC(=O)Nc3cccc(-c4ncco4)c3)CC2)nc(C)n1.
What is the InChIKey of 1-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-3-[3-(1,3-oxazol-2-yl)phenyl]urea?
The InChIKey is VITDHHFIOHBITI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O2/c1-14-12-19(24-15(2)23-14)27-9-6-17(7-10-27)25-21(28)26-18-5-3-4-16(13-18)20-22-8-11-29-20/h3-5,8,11-13,17H,6-7,9-10H2,1-2H3,(H2,25,26,28).
What are the key properties of 1-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-3-[3-(1,3-oxazol-2-yl)phenyl]urea?
1-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-3-[3-(1,3-oxazol-2-yl)phenyl]urea has a molecular weight of 392.46 g/mol, XLogP of 3.54, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-3-[3-(1,3-oxazol-2-yl)phenyl]urea is sourced from PubChem (CID 126787318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).