2-methyl-6-oxo-N-[2-oxo-3-[4-(trifluoromethyl)phenyl]butyl]-1H-pyrimidine-4-carboxamide

C17H16F3N3O3 — CID 137107214

IUPAC2-methyl-6-oxo-N-[2-oxo-3-[4-(trifluoromethyl)phenyl]butyl]-1H-pyrimidine-4-carboxamide
SMILESCc1nc(C(=O)NCC(=O)C(C)c2ccc(C(F)(F)F)cc2)cc(=O)[nH]1
InChIInChI=1S/C17H16F3N3O3/c1-9(11-3-5-12(6-4-11)17(18,19)20)14(24)8-21-16(26)13-7-15(25)23-10(2)22-13/h3-7,9H,8H2,1-2H3,(H,21,26)(H,22,23,25)
InChIKeyDUBYVVMTZAQLMV-UHFFFAOYSA-N
MW367.33 g/mol
LogP2.20
Rot. Bonds5

About 2-methyl-6-oxo-N-[2-oxo-3-[4-(trifluoromethyl)phenyl]butyl]-1H-pyrimidine-4-carboxamide

2-methyl-6-oxo-N-[2-oxo-3-[4-(trifluoromethyl)phenyl]butyl]-1H-pyrimidine-4-carboxamide (PubChem CID 137107214) has the molecular formula C17H16F3N3O3 and a molecular weight of 367.33 g/mol. Its IUPAC name is 2-methyl-6-oxo-N-[2-oxo-3-[4-(trifluoromethyl)phenyl]butyl]-1H-pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-methyl-6-oxo-N-[2-oxo-3-[4-(trifluoromethyl)phenyl]butyl]-1H-pyrimidine-4-carboxamide
PubChem CID137107214
Molecular FormulaC17H16F3N3O3
Molecular Weight367.33 g/mol
Exact Mass367.11
IUPAC Name2-methyl-6-oxo-N-[2-oxo-3-[4-(trifluoromethyl)phenyl]butyl]-1H-pyrimidine-4-carboxamide
SMILESCc1nc(C(=O)NCC(=O)C(C)c2ccc(C(F)(F)F)cc2)cc(=O)[nH]1
InChIInChI=1S/C17H16F3N3O3/c1-9(11-3-5-12(6-4-11)17(18,19)20)14(24)8-21-16(26)13-7-15(25)23-10(2)22-13/h3-7,9H,8H2,1-2H3,(H,21,26)(H,22,23,25)
InChIKeyDUBYVVMTZAQLMV-UHFFFAOYSA-N
XLogP2.20
TPSA91.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.33
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-oxo-N-[2-oxo-3-[4-(trifluoromethyl)phenyl]butyl]-1H-pyrimidine-4-carboxamide?
The IUPAC name of 2-methyl-6-oxo-N-[2-oxo-3-[4-(trifluoromethyl)phenyl]butyl]-1H-pyrimidine-4-carboxamide (CID 137107214) is 2-methyl-6-oxo-N-[2-oxo-3-[4-(trifluoromethyl)phenyl]butyl]-1H-pyrimidine-4-carboxamide.
What is the SMILES notation for 2-methyl-6-oxo-N-[2-oxo-3-[4-(trifluoromethyl)phenyl]butyl]-1H-pyrimidine-4-carboxamide?
The canonical SMILES for 2-methyl-6-oxo-N-[2-oxo-3-[4-(trifluoromethyl)phenyl]butyl]-1H-pyrimidine-4-carboxamide is Cc1nc(C(=O)NCC(=O)C(C)c2ccc(C(F)(F)F)cc2)cc(=O)[nH]1.
What is the InChIKey of 2-methyl-6-oxo-N-[2-oxo-3-[4-(trifluoromethyl)phenyl]butyl]-1H-pyrimidine-4-carboxamide?
The InChIKey is DUBYVVMTZAQLMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N3O3/c1-9(11-3-5-12(6-4-11)17(18,19)20)14(24)8-21-16(26)13-7-15(25)23-10(2)22-13/h3-7,9H,8H2,1-2H3,(H,21,26)(H,22,23,25).
What are the key properties of 2-methyl-6-oxo-N-[2-oxo-3-[4-(trifluoromethyl)phenyl]butyl]-1H-pyrimidine-4-carboxamide?
2-methyl-6-oxo-N-[2-oxo-3-[4-(trifluoromethyl)phenyl]butyl]-1H-pyrimidine-4-carboxamide has a molecular weight of 367.33 g/mol, XLogP of 2.20, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-oxo-N-[2-oxo-3-[4-(trifluoromethyl)phenyl]butyl]-1H-pyrimidine-4-carboxamide is sourced from PubChem (CID 137107214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).