2-methyl-6-oxo-N-[(1R)-1-[4-(trifluoromethylsulfonyl)phenyl]ethyl]-1H-pyrimidine-4-carboxamide

C15H14F3N3O4S — CID 136982953

IUPAC2-methyl-6-oxo-N-[(1R)-1-[4-(trifluoromethylsulfonyl)phenyl]ethyl]-1H-pyrimidine-4-carboxamide
SMILESCc1nc(C(=O)N[C@H](C)c2ccc(S(=O)(=O)C(F)(F)F)cc2)cc(=O)[nH]1
InChIInChI=1S/C15H14F3N3O4S/c1-8(19-14(23)12-7-13(22)21-9(2)20-12)10-3-5-11(6-4-10)26(24,25)15(16,17)18/h3-8H,1-2H3,(H,19,23)(H,20,21,22)/t8-/m1/s1
InChIKeyWKUNBEUSWHPPCG-MRVPVSSYSA-N
MW389.36 g/mol
LogP1.86
Rot. Bonds4

About 2-methyl-6-oxo-N-[(1R)-1-[4-(trifluoromethylsulfonyl)phenyl]ethyl]-1H-pyrimidine-4-carboxamide

2-methyl-6-oxo-N-[(1R)-1-[4-(trifluoromethylsulfonyl)phenyl]ethyl]-1H-pyrimidine-4-carboxamide (PubChem CID 136982953) has the molecular formula C15H14F3N3O4S and a molecular weight of 389.36 g/mol. Its IUPAC name is 2-methyl-6-oxo-N-[(1R)-1-[4-(trifluoromethylsulfonyl)phenyl]ethyl]-1H-pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-methyl-6-oxo-N-[(1R)-1-[4-(trifluoromethylsulfonyl)phenyl]ethyl]-1H-pyrimidine-4-carboxamide
PubChem CID136982953
Molecular FormulaC15H14F3N3O4S
Molecular Weight389.36 g/mol
Exact Mass389.07
IUPAC Name2-methyl-6-oxo-N-[(1R)-1-[4-(trifluoromethylsulfonyl)phenyl]ethyl]-1H-pyrimidine-4-carboxamide
SMILESCc1nc(C(=O)N[C@H](C)c2ccc(S(=O)(=O)C(F)(F)F)cc2)cc(=O)[nH]1
InChIInChI=1S/C15H14F3N3O4S/c1-8(19-14(23)12-7-13(22)21-9(2)20-12)10-3-5-11(6-4-10)26(24,25)15(16,17)18/h3-8H,1-2H3,(H,19,23)(H,20,21,22)/t8-/m1/s1
InChIKeyWKUNBEUSWHPPCG-MRVPVSSYSA-N
XLogP1.86
TPSA108.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.36
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-oxo-N-[(1R)-1-[4-(trifluoromethylsulfonyl)phenyl]ethyl]-1H-pyrimidine-4-carboxamide?
The IUPAC name of 2-methyl-6-oxo-N-[(1R)-1-[4-(trifluoromethylsulfonyl)phenyl]ethyl]-1H-pyrimidine-4-carboxamide (CID 136982953) is 2-methyl-6-oxo-N-[(1R)-1-[4-(trifluoromethylsulfonyl)phenyl]ethyl]-1H-pyrimidine-4-carboxamide.
What is the SMILES notation for 2-methyl-6-oxo-N-[(1R)-1-[4-(trifluoromethylsulfonyl)phenyl]ethyl]-1H-pyrimidine-4-carboxamide?
The canonical SMILES for 2-methyl-6-oxo-N-[(1R)-1-[4-(trifluoromethylsulfonyl)phenyl]ethyl]-1H-pyrimidine-4-carboxamide is Cc1nc(C(=O)N[C@H](C)c2ccc(S(=O)(=O)C(F)(F)F)cc2)cc(=O)[nH]1.
What is the InChIKey of 2-methyl-6-oxo-N-[(1R)-1-[4-(trifluoromethylsulfonyl)phenyl]ethyl]-1H-pyrimidine-4-carboxamide?
The InChIKey is WKUNBEUSWHPPCG-MRVPVSSYSA-N. The full InChI is InChI=1S/C15H14F3N3O4S/c1-8(19-14(23)12-7-13(22)21-9(2)20-12)10-3-5-11(6-4-10)26(24,25)15(16,17)18/h3-8H,1-2H3,(H,19,23)(H,20,21,22)/t8-/m1/s1.
What are the key properties of 2-methyl-6-oxo-N-[(1R)-1-[4-(trifluoromethylsulfonyl)phenyl]ethyl]-1H-pyrimidine-4-carboxamide?
2-methyl-6-oxo-N-[(1R)-1-[4-(trifluoromethylsulfonyl)phenyl]ethyl]-1H-pyrimidine-4-carboxamide has a molecular weight of 389.36 g/mol, XLogP of 1.86, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-oxo-N-[(1R)-1-[4-(trifluoromethylsulfonyl)phenyl]ethyl]-1H-pyrimidine-4-carboxamide is sourced from PubChem (CID 136982953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).