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

C13H16F3N3O2 — CID 127267061

IUPACN-cyclopentyl-2-[2-methyl-6-oxo-4-(trifluoromethyl)pyrimidin-1-yl]acetamide
SMILESCc1nc(C(F)(F)F)cc(=O)n1CC(=O)NC1CCCC1
InChIInChI=1S/C13H16F3N3O2/c1-8-17-10(13(14,15)16)6-12(21)19(8)7-11(20)18-9-4-2-3-5-9/h6,9H,2-5,7H2,1H3,(H,18,20)
InChIKeyUARJXIYCUDUCGA-UHFFFAOYSA-N
MW303.28 g/mol
LogP1.63
Rot. Bonds3

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

N-cyclopentyl-2-[2-methyl-6-oxo-4-(trifluoromethyl)pyrimidin-1-yl]acetamide (PubChem CID 127267061) has the molecular formula C13H16F3N3O2 and a molecular weight of 303.28 g/mol. Its IUPAC name is N-cyclopentyl-2-[2-methyl-6-oxo-4-(trifluoromethyl)pyrimidin-1-yl]acetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[2-methyl-6-oxo-4-(trifluoromethyl)pyrimidin-1-yl]acetamide
PubChem CID127267061
Molecular FormulaC13H16F3N3O2
Molecular Weight303.28 g/mol
Exact Mass303.12
IUPAC NameN-cyclopentyl-2-[2-methyl-6-oxo-4-(trifluoromethyl)pyrimidin-1-yl]acetamide
SMILESCc1nc(C(F)(F)F)cc(=O)n1CC(=O)NC1CCCC1
InChIInChI=1S/C13H16F3N3O2/c1-8-17-10(13(14,15)16)6-12(21)19(8)7-11(20)18-9-4-2-3-5-9/h6,9H,2-5,7H2,1H3,(H,18,20)
InChIKeyUARJXIYCUDUCGA-UHFFFAOYSA-N
XLogP1.63
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.28
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[2-methyl-6-oxo-4-(trifluoromethyl)pyrimidin-1-yl]acetamide?
The IUPAC name of N-cyclopentyl-2-[2-methyl-6-oxo-4-(trifluoromethyl)pyrimidin-1-yl]acetamide (CID 127267061) is N-cyclopentyl-2-[2-methyl-6-oxo-4-(trifluoromethyl)pyrimidin-1-yl]acetamide.
What is the SMILES notation for N-cyclopentyl-2-[2-methyl-6-oxo-4-(trifluoromethyl)pyrimidin-1-yl]acetamide?
The canonical SMILES for N-cyclopentyl-2-[2-methyl-6-oxo-4-(trifluoromethyl)pyrimidin-1-yl]acetamide is Cc1nc(C(F)(F)F)cc(=O)n1CC(=O)NC1CCCC1.
What is the InChIKey of N-cyclopentyl-2-[2-methyl-6-oxo-4-(trifluoromethyl)pyrimidin-1-yl]acetamide?
The InChIKey is UARJXIYCUDUCGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N3O2/c1-8-17-10(13(14,15)16)6-12(21)19(8)7-11(20)18-9-4-2-3-5-9/h6,9H,2-5,7H2,1H3,(H,18,20).
What are the key properties of N-cyclopentyl-2-[2-methyl-6-oxo-4-(trifluoromethyl)pyrimidin-1-yl]acetamide?
N-cyclopentyl-2-[2-methyl-6-oxo-4-(trifluoromethyl)pyrimidin-1-yl]acetamide has a molecular weight of 303.28 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[2-methyl-6-oxo-4-(trifluoromethyl)pyrimidin-1-yl]acetamide is sourced from PubChem (CID 127267061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).