N-[4-[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]adamantane-1-carboxamide

C26H29N5O2 — CID 122312778

IUPACN-[4-[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]adamantane-1-carboxamide
SMILESCc1nc(Oc2ccc(NC(=O)C34CC5CC(CC(C5)C3)C4)cc2)cc(-n2ccnc2C)n1
InChIInChI=1S/C26H29N5O2/c1-16-28-23(31-8-7-27-17(31)2)12-24(29-16)33-22-5-3-21(4-6-22)30-25(32)26-13-18-9-19(14-26)11-20(10-18)15-26/h3-8,12,18-20H,9-11,13-15H2,1-2H3,(H,30,32)
InChIKeyFTLFVXCZTKEHFR-UHFFFAOYSA-N
MW443.55 g/mol
LogP5.23
Rot. Bonds5

About N-[4-[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]adamantane-1-carboxamide

N-[4-[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]adamantane-1-carboxamide (PubChem CID 122312778) has the molecular formula C26H29N5O2 and a molecular weight of 443.55 g/mol. Its IUPAC name is N-[4-[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]adamantane-1-carboxamide.

Molecular Properties

Compound NameN-[4-[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]adamantane-1-carboxamide
PubChem CID122312778
Molecular FormulaC26H29N5O2
Molecular Weight443.55 g/mol
Exact Mass443.23
IUPAC NameN-[4-[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]adamantane-1-carboxamide
SMILESCc1nc(Oc2ccc(NC(=O)C34CC5CC(CC(C5)C3)C4)cc2)cc(-n2ccnc2C)n1
InChIInChI=1S/C26H29N5O2/c1-16-28-23(31-8-7-27-17(31)2)12-24(29-16)33-22-5-3-21(4-6-22)30-25(32)26-13-18-9-19(14-26)11-20(10-18)15-26/h3-8,12,18-20H,9-11,13-15H2,1-2H3,(H,30,32)
InChIKeyFTLFVXCZTKEHFR-UHFFFAOYSA-N
XLogP5.23
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.55
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]-2-(4-methylphenoxy)acetamide
CID 122312789
N-[4-[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]-4-phenoxybenzamide
CID 122312815
1-[4-[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]-3-(3-methylphenyl)urea
CID 122312668
2,6-difluoro-N-[4-[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]benzamide
CID 122312623
N-[4-[[4-[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]sulfamoyl]phenyl]acetamide
CID 122312712
1-(2,4-difluorophenyl)-3-[4-[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]urea
CID 122312694
1-[4-[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 122312948
2-(1-adamantyl)-N-[4-[6-(4,5-dimethylimidazol-1-yl)-2-methylpyrimidin-4-yl]oxyphenyl]acetamide
CID 122313595
4-methyl-N-[4-[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]-2-phenyl-1,3-thiazole-5-carboxamide
CID 122312655
2-(2,4-dichlorophenoxy)-N-[4-[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]acetamide
CID 122312650
2-(difluoromethylsulfanyl)-N-[4-[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]benzamide
CID 122312837
2-ethoxy-N-[4-[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]naphthalene-1-carboxamide
CID 122312781

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]adamantane-1-carboxamide?
The IUPAC name of N-[4-[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]adamantane-1-carboxamide (CID 122312778) is N-[4-[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]adamantane-1-carboxamide.
What is the SMILES notation for N-[4-[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]adamantane-1-carboxamide?
The canonical SMILES for N-[4-[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]adamantane-1-carboxamide is Cc1nc(Oc2ccc(NC(=O)C34CC5CC(CC(C5)C3)C4)cc2)cc(-n2ccnc2C)n1.
What is the InChIKey of N-[4-[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]adamantane-1-carboxamide?
The InChIKey is FTLFVXCZTKEHFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N5O2/c1-16-28-23(31-8-7-27-17(31)2)12-24(29-16)33-22-5-3-21(4-6-22)30-25(32)26-13-18-9-19(14-26)11-20(10-18)15-26/h3-8,12,18-20H,9-11,13-15H2,1-2H3,(H,30,32).
What are the key properties of N-[4-[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]adamantane-1-carboxamide?
N-[4-[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]adamantane-1-carboxamide has a molecular weight of 443.55 g/mol, XLogP of 5.23, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]adamantane-1-carboxamide is sourced from PubChem (CID 122312778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).