N-[4-[[6-[3-fluoro-4-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]cyclohexyl]acetamide

C19H20F4N4O — CID 139574214

IUPACN-[4-[[6-[3-fluoro-4-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]cyclohexyl]acetamide
SMILESCC(=O)NC1CCC(Nc2cc(-c3ccc(C(F)(F)F)c(F)c3)ncn2)CC1
InChIInChI=1S/C19H20F4N4O/c1-11(28)26-13-3-5-14(6-4-13)27-18-9-17(24-10-25-18)12-2-7-15(16(20)8-12)19(21,22)23/h2,7-10,13-14H,3-6H2,1H3,(H,26,28)(H,24,25,27)
InChIKeyKSBSMKBOQODNPU-UHFFFAOYSA-N
MW396.39 g/mol
LogP4.16
Rot. Bonds4

About N-[4-[[6-[3-fluoro-4-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]cyclohexyl]acetamide

N-[4-[[6-[3-fluoro-4-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]cyclohexyl]acetamide (PubChem CID 139574214) has the molecular formula C19H20F4N4O and a molecular weight of 396.39 g/mol. Its IUPAC name is N-[4-[[6-[3-fluoro-4-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]cyclohexyl]acetamide.

Molecular Properties

Compound NameN-[4-[[6-[3-fluoro-4-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]cyclohexyl]acetamide
PubChem CID139574214
Molecular FormulaC19H20F4N4O
Molecular Weight396.39 g/mol
Exact Mass396.16
IUPAC NameN-[4-[[6-[3-fluoro-4-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]cyclohexyl]acetamide
SMILESCC(=O)NC1CCC(Nc2cc(-c3ccc(C(F)(F)F)c(F)c3)ncn2)CC1
InChIInChI=1S/C19H20F4N4O/c1-11(28)26-13-3-5-14(6-4-13)27-18-9-17(24-10-25-18)12-2-7-15(16(20)8-12)19(21,22)23/h2,7-10,13-14H,3-6H2,1H3,(H,26,28)(H,24,25,27)
InChIKeyKSBSMKBOQODNPU-UHFFFAOYSA-N
XLogP4.16
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.39
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[4-[[6-[3-fluoro-4-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]cyclohexyl]acetamide with MolForge

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Related Compounds

N-cyclopropyl-6-(4-methylsulfanylphenyl)pyrimidin-4-amine
CID 82483168
N-tert-butyl-4-[6-(cyclohexylamino)pyrimidin-4-yl]benzamide
CID 53009834
N-[4-[[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]amino]cyclohexyl]acetamide
CID 58082313
N-cyclopentyl-5-[3-fluoro-4-(trifluoromethyl)phenyl]-4-(hydroxymethyl)-1,2-oxazole-3-carboxamide
CID 56683582
methyl 5-(cyclopentylcarbamoyl)-3-[3-fluoro-4-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxylate
CID 67282992
methyl 2-[3-fluoro-4-(trifluoromethyl)phenyl]pyridine-4-carboxylate
CID 66732503
N-tert-butyl-3-[6-(cyclohexylamino)pyrimidin-4-yl]benzamide
CID 53009873
N-[1-[6-[3-methyl-4-(trifluoromethoxy)phenyl]pyrimidin-4-yl]piperidin-4-yl]acetamide
CID 139557401
N-cyclopropyl-6-pyrimidin-5-ylpyrimidin-4-amine
CID 141185839
N-cyclopropyl-6-(4-propan-2-yloxyphenyl)pyrimidin-4-amine
CID 96667428
N-[1-[6-(3,4-dichlorophenyl)pyrimidin-4-yl]piperidin-4-yl]acetamide
CID 139557346
N-[(3R,4S)-3-fluoro-1-[6-(3-fluoro-4-methylphenyl)pyrimidin-4-yl]piperidin-4-yl]acetamide
CID 158162102

Frequently Asked Questions

What is the IUPAC name of N-[4-[[6-[3-fluoro-4-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]cyclohexyl]acetamide?
The IUPAC name of N-[4-[[6-[3-fluoro-4-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]cyclohexyl]acetamide (CID 139574214) is N-[4-[[6-[3-fluoro-4-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]cyclohexyl]acetamide.
What is the SMILES notation for N-[4-[[6-[3-fluoro-4-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]cyclohexyl]acetamide?
The canonical SMILES for N-[4-[[6-[3-fluoro-4-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]cyclohexyl]acetamide is CC(=O)NC1CCC(Nc2cc(-c3ccc(C(F)(F)F)c(F)c3)ncn2)CC1.
What is the InChIKey of N-[4-[[6-[3-fluoro-4-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]cyclohexyl]acetamide?
The InChIKey is KSBSMKBOQODNPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F4N4O/c1-11(28)26-13-3-5-14(6-4-13)27-18-9-17(24-10-25-18)12-2-7-15(16(20)8-12)19(21,22)23/h2,7-10,13-14H,3-6H2,1H3,(H,26,28)(H,24,25,27).
What are the key properties of N-[4-[[6-[3-fluoro-4-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]cyclohexyl]acetamide?
N-[4-[[6-[3-fluoro-4-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]cyclohexyl]acetamide has a molecular weight of 396.39 g/mol, XLogP of 4.16, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[6-[3-fluoro-4-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]cyclohexyl]acetamide is sourced from PubChem (CID 139574214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).