4-[6-(methoxymethyl)-2-methyl-5-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]-N-propan-2-ylpiperazine-1-carboxamide

C23H30F3N5O2 — CID 83286397

IUPAC4-[6-(methoxymethyl)-2-methyl-5-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]-N-propan-2-ylpiperazine-1-carboxamide
SMILESCOCc1nc(C)nc(N2CCN(C(=O)NC(C)C)CC2)c1Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C23H30F3N5O2/c1-15(2)27-22(32)31-10-8-30(9-11-31)21-19(20(14-33-4)28-16(3)29-21)13-17-6-5-7-18(12-17)23(24,25)26/h5-7,12,15H,8-11,13-14H2,1-4H3,(H,27,32)
InChIKeyRJKNQUFYVMAFCV-UHFFFAOYSA-N
MW465.52 g/mol
LogP3.78
Rot. Bonds6

About 4-[6-(methoxymethyl)-2-methyl-5-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]-N-propan-2-ylpiperazine-1-carboxamide

4-[6-(methoxymethyl)-2-methyl-5-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]-N-propan-2-ylpiperazine-1-carboxamide (PubChem CID 83286397) has the molecular formula C23H30F3N5O2 and a molecular weight of 465.52 g/mol. Its IUPAC name is 4-[6-(methoxymethyl)-2-methyl-5-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]-N-propan-2-ylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-[6-(methoxymethyl)-2-methyl-5-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]-N-propan-2-ylpiperazine-1-carboxamide
PubChem CID83286397
Molecular FormulaC23H30F3N5O2
Molecular Weight465.52 g/mol
Exact Mass465.24
IUPAC Name4-[6-(methoxymethyl)-2-methyl-5-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]-N-propan-2-ylpiperazine-1-carboxamide
SMILESCOCc1nc(C)nc(N2CCN(C(=O)NC(C)C)CC2)c1Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C23H30F3N5O2/c1-15(2)27-22(32)31-10-8-30(9-11-31)21-19(20(14-33-4)28-16(3)29-21)13-17-6-5-7-18(12-17)23(24,25)26/h5-7,12,15H,8-11,13-14H2,1-4H3,(H,27,32)
InChIKeyRJKNQUFYVMAFCV-UHFFFAOYSA-N
XLogP3.78
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.52
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[5-[(2-chloro-6-fluorophenyl)methyl]-6-(methoxymethyl)-2-methylpyrimidin-4-yl]-N-propan-2-ylpiperazine-1-carboxamide
CID 42811146
1-[4-[6-(methoxymethyl)-2-phenyl-5-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]piperazin-1-yl]-2-methylpropan-1-one
CID 83284454
N-tert-butyl-4-[6-(methoxymethyl)-2-phenyl-5-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]piperazine-1-carboxamide
CID 83279689
4-[6-(methoxymethyl)-2-phenyl-5-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]-N,N-dimethylpiperazine-1-carboxamide
CID 83283162
2-methoxy-1-[4-[6-(methoxymethyl)-5-[(3-methoxyphenyl)methyl]-2-methylpyrimidin-4-yl]piperazin-1-yl]ethanone
CID 91633193
N-(3-chlorophenyl)-4-[2,6-dimethyl-5-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]piperazine-1-carboxamide
CID 42802113
N-[3,5-bis(trifluoromethyl)phenyl]-4-[6-ethyl-5-[(3-fluorophenyl)methyl]-2-methylpyrimidin-4-yl]piperazine-1-carboxamide
CID 42778524
(3S)-1-[4-[2,6-dimethyl-5-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]piperazin-1-yl]-3,5,5-trimethylhexan-1-one
CID 93122039
N-[3,5-bis(trifluoromethyl)phenyl]-4-[6-ethyl-5-[(3-fluorophenyl)methyl]-2-methylpyrimidin-4-yl]-1,4-diazepane-1-carboxamide
CID 3276012
2-methoxy-1-[4-[6-(methoxymethyl)-2-methyl-5-[(4-methylphenyl)methyl]pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 42811120
4-[5-[(2-chloro-6-fluorophenyl)methyl]-6-(methoxymethyl)-2-methylpyrimidin-4-yl]-N-ethylpiperazine-1-carboxamide
CID 42811145
4-(4-ethylsulfonylpiperazin-1-yl)-6-(methoxymethyl)-5-[(3-methoxyphenyl)methyl]-2-methylpyrimidine
CID 83286418

Frequently Asked Questions

What is the IUPAC name of 4-[6-(methoxymethyl)-2-methyl-5-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]-N-propan-2-ylpiperazine-1-carboxamide?
The IUPAC name of 4-[6-(methoxymethyl)-2-methyl-5-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]-N-propan-2-ylpiperazine-1-carboxamide (CID 83286397) is 4-[6-(methoxymethyl)-2-methyl-5-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]-N-propan-2-ylpiperazine-1-carboxamide.
What is the SMILES notation for 4-[6-(methoxymethyl)-2-methyl-5-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]-N-propan-2-ylpiperazine-1-carboxamide?
The canonical SMILES for 4-[6-(methoxymethyl)-2-methyl-5-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]-N-propan-2-ylpiperazine-1-carboxamide is COCc1nc(C)nc(N2CCN(C(=O)NC(C)C)CC2)c1Cc1cccc(C(F)(F)F)c1.
What is the InChIKey of 4-[6-(methoxymethyl)-2-methyl-5-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]-N-propan-2-ylpiperazine-1-carboxamide?
The InChIKey is RJKNQUFYVMAFCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30F3N5O2/c1-15(2)27-22(32)31-10-8-30(9-11-31)21-19(20(14-33-4)28-16(3)29-21)13-17-6-5-7-18(12-17)23(24,25)26/h5-7,12,15H,8-11,13-14H2,1-4H3,(H,27,32).
What are the key properties of 4-[6-(methoxymethyl)-2-methyl-5-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]-N-propan-2-ylpiperazine-1-carboxamide?
4-[6-(methoxymethyl)-2-methyl-5-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]-N-propan-2-ylpiperazine-1-carboxamide has a molecular weight of 465.52 g/mol, XLogP of 3.78, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(methoxymethyl)-2-methyl-5-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]-N-propan-2-ylpiperazine-1-carboxamide is sourced from PubChem (CID 83286397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).