N-[(1R)-1-[2-fluoro-5-(trifluoromethyl)phenyl]ethyl]-5-methyl-2-propan-2-ylpyrimidine-4-carboxamide

C18H19F4N3O — CID 146716025

IUPACN-[(1R)-1-[2-fluoro-5-(trifluoromethyl)phenyl]ethyl]-5-methyl-2-propan-2-ylpyrimidine-4-carboxamide
SMILESCc1cnc(C(C)C)nc1C(=O)N[C@H](C)c1cc(C(F)(F)F)ccc1F
InChIInChI=1S/C18H19F4N3O/c1-9(2)16-23-8-10(3)15(25-16)17(26)24-11(4)13-7-12(18(20,21)22)5-6-14(13)19/h5-9,11H,1-4H3,(H,24,26)/t11-/m1/s1
InChIKeyRDKZFUPGHANEHY-LLVKDONJSA-N
MW369.36 g/mol
LogP4.56
Rot. Bonds4

About N-[(1R)-1-[2-fluoro-5-(trifluoromethyl)phenyl]ethyl]-5-methyl-2-propan-2-ylpyrimidine-4-carboxamide

N-[(1R)-1-[2-fluoro-5-(trifluoromethyl)phenyl]ethyl]-5-methyl-2-propan-2-ylpyrimidine-4-carboxamide (PubChem CID 146716025) has the molecular formula C18H19F4N3O and a molecular weight of 369.36 g/mol. Its IUPAC name is N-[(1R)-1-[2-fluoro-5-(trifluoromethyl)phenyl]ethyl]-5-methyl-2-propan-2-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-[2-fluoro-5-(trifluoromethyl)phenyl]ethyl]-5-methyl-2-propan-2-ylpyrimidine-4-carboxamide
PubChem CID146716025
Molecular FormulaC18H19F4N3O
Molecular Weight369.36 g/mol
Exact Mass369.15
IUPAC NameN-[(1R)-1-[2-fluoro-5-(trifluoromethyl)phenyl]ethyl]-5-methyl-2-propan-2-ylpyrimidine-4-carboxamide
SMILESCc1cnc(C(C)C)nc1C(=O)N[C@H](C)c1cc(C(F)(F)F)ccc1F
InChIInChI=1S/C18H19F4N3O/c1-9(2)16-23-8-10(3)15(25-16)17(26)24-11(4)13-7-12(18(20,21)22)5-6-14(13)19/h5-9,11H,1-4H3,(H,24,26)/t11-/m1/s1
InChIKeyRDKZFUPGHANEHY-LLVKDONJSA-N
XLogP4.56
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.36
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[2-fluoro-5-(trifluoromethyl)phenyl]ethyl]-2-methyl-6-(2-oxopropyl)pyridine-4-carboxamide
CID 159204879
N-[1-[2-fluoro-5-(trifluoromethyl)phenyl]ethyl]-2-methyl-6-(3-methyl-2-oxobutyl)pyridine-4-carboxamide
CID 158217670
N-[1-[2-fluoro-5-(trifluoromethyl)phenyl]ethyl]-2-(2-oxopropyl)pyridine-4-carboxamide
CID 158051254
N-[(1R)-1-[2-fluoro-4-(trifluoromethyl)phenyl]ethyl]-2-methyl-6-oxo-1H-pyrimidine-4-carboxamide
CID 136982541
2-tert-butyl-N-[(1R)-1-[2-fluoro-5-(trifluoromethoxy)phenyl]ethyl]-5-methylpyridine-4-carboxamide
CID 165374257
N-[1-[2-fluoro-5-(trifluoromethyl)phenyl]ethyl]-2-methylpropan-2-amine;pyrazine-2-carboxamide
CID 171924517
N-[1-(2,5-difluorophenyl)ethyl]-4-fluorobenzamide
CID 60737307
1-chloro-1-[2-fluoro-5-(trifluoromethyl)phenyl]propan-2-ol
CID 69345196
2-fluoro-N-(3-methylbutan-2-yl)-5-(trifluoromethyl)benzamide
CID 18712129
methyl (3R)-3-amino-3-[2-fluoro-5-(trifluoromethyl)phenyl]propanoate
CID 171249573
5-methyl-2-methylsulfinyl-N-[(1R)-1-naphthalen-1-ylethyl]pyrimidine-4-carboxamide
CID 165116246
[5-methyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 18628527

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[2-fluoro-5-(trifluoromethyl)phenyl]ethyl]-5-methyl-2-propan-2-ylpyrimidine-4-carboxamide?
The IUPAC name of N-[(1R)-1-[2-fluoro-5-(trifluoromethyl)phenyl]ethyl]-5-methyl-2-propan-2-ylpyrimidine-4-carboxamide (CID 146716025) is N-[(1R)-1-[2-fluoro-5-(trifluoromethyl)phenyl]ethyl]-5-methyl-2-propan-2-ylpyrimidine-4-carboxamide.
What is the SMILES notation for N-[(1R)-1-[2-fluoro-5-(trifluoromethyl)phenyl]ethyl]-5-methyl-2-propan-2-ylpyrimidine-4-carboxamide?
The canonical SMILES for N-[(1R)-1-[2-fluoro-5-(trifluoromethyl)phenyl]ethyl]-5-methyl-2-propan-2-ylpyrimidine-4-carboxamide is Cc1cnc(C(C)C)nc1C(=O)N[C@H](C)c1cc(C(F)(F)F)ccc1F.
What is the InChIKey of N-[(1R)-1-[2-fluoro-5-(trifluoromethyl)phenyl]ethyl]-5-methyl-2-propan-2-ylpyrimidine-4-carboxamide?
The InChIKey is RDKZFUPGHANEHY-LLVKDONJSA-N. The full InChI is InChI=1S/C18H19F4N3O/c1-9(2)16-23-8-10(3)15(25-16)17(26)24-11(4)13-7-12(18(20,21)22)5-6-14(13)19/h5-9,11H,1-4H3,(H,24,26)/t11-/m1/s1.
What are the key properties of N-[(1R)-1-[2-fluoro-5-(trifluoromethyl)phenyl]ethyl]-5-methyl-2-propan-2-ylpyrimidine-4-carboxamide?
N-[(1R)-1-[2-fluoro-5-(trifluoromethyl)phenyl]ethyl]-5-methyl-2-propan-2-ylpyrimidine-4-carboxamide has a molecular weight of 369.36 g/mol, XLogP of 4.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-[2-fluoro-5-(trifluoromethyl)phenyl]ethyl]-5-methyl-2-propan-2-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 146716025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).