4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)-N-[2-(trifluoromethoxy)phenyl]piperazine-1-carboxamide

C21H25F3N6O3 — CID 122340812

IUPAC4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)-N-[2-(trifluoromethoxy)phenyl]piperazine-1-carboxamide
SMILESCc1nc(N2CCOCC2)cc(N2CCN(C(=O)Nc3ccccc3OC(F)(F)F)CC2)n1
InChIInChI=1S/C21H25F3N6O3/c1-15-25-18(14-19(26-15)29-10-12-32-13-11-29)28-6-8-30(9-7-28)20(31)27-16-4-2-3-5-17(16)33-21(22,23)24/h2-5,14H,6-13H2,1H3,(H,27,31)
InChIKeyMEQGEJFZJGLVQQ-UHFFFAOYSA-N
MW466.46 g/mol
LogP2.87
Rot. Bonds4

About 4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)-N-[2-(trifluoromethoxy)phenyl]piperazine-1-carboxamide

4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)-N-[2-(trifluoromethoxy)phenyl]piperazine-1-carboxamide (PubChem CID 122340812) has the molecular formula C21H25F3N6O3 and a molecular weight of 466.46 g/mol. Its IUPAC name is 4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)-N-[2-(trifluoromethoxy)phenyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)-N-[2-(trifluoromethoxy)phenyl]piperazine-1-carboxamide
PubChem CID122340812
Molecular FormulaC21H25F3N6O3
Molecular Weight466.46 g/mol
Exact Mass466.19
IUPAC Name4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)-N-[2-(trifluoromethoxy)phenyl]piperazine-1-carboxamide
SMILESCc1nc(N2CCOCC2)cc(N2CCN(C(=O)Nc3ccccc3OC(F)(F)F)CC2)n1
InChIInChI=1S/C21H25F3N6O3/c1-15-25-18(14-19(26-15)29-10-12-32-13-11-29)28-6-8-30(9-7-28)20(31)27-16-4-2-3-5-17(16)33-21(22,23)24/h2-5,14H,6-13H2,1H3,(H,27,31)
InChIKeyMEQGEJFZJGLVQQ-UHFFFAOYSA-N
XLogP2.87
TPSA83.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.46
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)-N-[2-(trifluoromethoxy)phenyl]piperazine-1-carboxamide
CID 122339942
4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)-N-[2-(trifluoromethoxy)phenyl]piperazine-1-carboxamide
CID 122337678
4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)-N-(2-methylphenyl)piperazine-1-carboxamide
CID 47001484
4-(4-methoxyphenyl)-N-[2-(trifluoromethoxy)phenyl]piperazine-1-carboxamide
CID 3742709
N-(2,5-dimethylphenyl)-4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperazine-1-carboxamide
CID 50748010
N-[2-(trifluoromethoxy)phenyl]pyrrolidine-1-carboxamide
CID 47201193
N-(2-methoxyphenyl)-2-methyl-6-morpholin-4-ylpyrimidine-4-carboxamide
CID 109365446
N-(2-methylphenyl)-4-(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)piperazine-1-carboxamide
CID 47001194
N-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]-2-(trifluoromethoxy)benzamide
CID 122294170
N-(2,3-dimethoxyphenyl)-4-(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)piperazine-1-carboxamide
CID 122342585
4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)-N-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 122338684
4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)-N-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 122337919

Frequently Asked Questions

What is the IUPAC name of 4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)-N-[2-(trifluoromethoxy)phenyl]piperazine-1-carboxamide?
The IUPAC name of 4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)-N-[2-(trifluoromethoxy)phenyl]piperazine-1-carboxamide (CID 122340812) is 4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)-N-[2-(trifluoromethoxy)phenyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)-N-[2-(trifluoromethoxy)phenyl]piperazine-1-carboxamide?
The canonical SMILES for 4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)-N-[2-(trifluoromethoxy)phenyl]piperazine-1-carboxamide is Cc1nc(N2CCOCC2)cc(N2CCN(C(=O)Nc3ccccc3OC(F)(F)F)CC2)n1.
What is the InChIKey of 4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)-N-[2-(trifluoromethoxy)phenyl]piperazine-1-carboxamide?
The InChIKey is MEQGEJFZJGLVQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25F3N6O3/c1-15-25-18(14-19(26-15)29-10-12-32-13-11-29)28-6-8-30(9-7-28)20(31)27-16-4-2-3-5-17(16)33-21(22,23)24/h2-5,14H,6-13H2,1H3,(H,27,31).
What are the key properties of 4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)-N-[2-(trifluoromethoxy)phenyl]piperazine-1-carboxamide?
4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)-N-[2-(trifluoromethoxy)phenyl]piperazine-1-carboxamide has a molecular weight of 466.46 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)-N-[2-(trifluoromethoxy)phenyl]piperazine-1-carboxamide is sourced from PubChem (CID 122340812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).