N-cycloheptyl-2-[2-methyl-6-oxo-4-(trifluoromethyl)pyrimidin-1-yl]acetamide

C15H20F3N3O2 — CID 127267062

IUPACN-cycloheptyl-2-[2-methyl-6-oxo-4-(trifluoromethyl)pyrimidin-1-yl]acetamide
SMILESCc1nc(C(F)(F)F)cc(=O)n1CC(=O)NC1CCCCCC1
InChIInChI=1S/C15H20F3N3O2/c1-10-19-12(15(16,17)18)8-14(23)21(10)9-13(22)20-11-6-4-2-3-5-7-11/h8,11H,2-7,9H2,1H3,(H,20,22)
InChIKeyKTQXUONGEBFYBH-UHFFFAOYSA-N
MW331.34 g/mol
LogP2.41
Rot. Bonds3

About N-cycloheptyl-2-[2-methyl-6-oxo-4-(trifluoromethyl)pyrimidin-1-yl]acetamide

N-cycloheptyl-2-[2-methyl-6-oxo-4-(trifluoromethyl)pyrimidin-1-yl]acetamide (PubChem CID 127267062) has the molecular formula C15H20F3N3O2 and a molecular weight of 331.34 g/mol. Its IUPAC name is N-cycloheptyl-2-[2-methyl-6-oxo-4-(trifluoromethyl)pyrimidin-1-yl]acetamide.

Molecular Properties

Compound NameN-cycloheptyl-2-[2-methyl-6-oxo-4-(trifluoromethyl)pyrimidin-1-yl]acetamide
PubChem CID127267062
Molecular FormulaC15H20F3N3O2
Molecular Weight331.34 g/mol
Exact Mass331.15
IUPAC NameN-cycloheptyl-2-[2-methyl-6-oxo-4-(trifluoromethyl)pyrimidin-1-yl]acetamide
SMILESCc1nc(C(F)(F)F)cc(=O)n1CC(=O)NC1CCCCCC1
InChIInChI=1S/C15H20F3N3O2/c1-10-19-12(15(16,17)18)8-14(23)21(10)9-13(22)20-11-6-4-2-3-5-7-11/h8,11H,2-7,9H2,1H3,(H,20,22)
InChIKeyKTQXUONGEBFYBH-UHFFFAOYSA-N
XLogP2.41
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.34
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-2-[2-methyl-6-oxo-4-(trifluoromethyl)pyrimidin-1-yl]acetamide?
The IUPAC name of N-cycloheptyl-2-[2-methyl-6-oxo-4-(trifluoromethyl)pyrimidin-1-yl]acetamide (CID 127267062) is N-cycloheptyl-2-[2-methyl-6-oxo-4-(trifluoromethyl)pyrimidin-1-yl]acetamide.
What is the SMILES notation for N-cycloheptyl-2-[2-methyl-6-oxo-4-(trifluoromethyl)pyrimidin-1-yl]acetamide?
The canonical SMILES for N-cycloheptyl-2-[2-methyl-6-oxo-4-(trifluoromethyl)pyrimidin-1-yl]acetamide is Cc1nc(C(F)(F)F)cc(=O)n1CC(=O)NC1CCCCCC1.
What is the InChIKey of N-cycloheptyl-2-[2-methyl-6-oxo-4-(trifluoromethyl)pyrimidin-1-yl]acetamide?
The InChIKey is KTQXUONGEBFYBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3N3O2/c1-10-19-12(15(16,17)18)8-14(23)21(10)9-13(22)20-11-6-4-2-3-5-7-11/h8,11H,2-7,9H2,1H3,(H,20,22).
What are the key properties of N-cycloheptyl-2-[2-methyl-6-oxo-4-(trifluoromethyl)pyrimidin-1-yl]acetamide?
N-cycloheptyl-2-[2-methyl-6-oxo-4-(trifluoromethyl)pyrimidin-1-yl]acetamide has a molecular weight of 331.34 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-2-[2-methyl-6-oxo-4-(trifluoromethyl)pyrimidin-1-yl]acetamide is sourced from PubChem (CID 127267062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).