N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]cyclobutanecarboxamide

C13H16F3N3O — CID 71796938

IUPACN-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]cyclobutanecarboxamide
SMILESCc1cc(C(F)(F)F)nc(CCNC(=O)C2CCC2)n1
InChIInChI=1S/C13H16F3N3O/c1-8-7-10(13(14,15)16)19-11(18-8)5-6-17-12(20)9-3-2-4-9/h7,9H,2-6H2,1H3,(H,17,20)
InChIKeyAPBOSDLKXXVUNS-UHFFFAOYSA-N
MW287.28 g/mol
LogP2.26
Rot. Bonds4

About N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]cyclobutanecarboxamide

N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]cyclobutanecarboxamide (PubChem CID 71796938) has the molecular formula C13H16F3N3O and a molecular weight of 287.28 g/mol. Its IUPAC name is N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]cyclobutanecarboxamide
PubChem CID71796938
Molecular FormulaC13H16F3N3O
Molecular Weight287.28 g/mol
Exact Mass287.12
IUPAC NameN-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]cyclobutanecarboxamide
SMILESCc1cc(C(F)(F)F)nc(CCNC(=O)C2CCC2)n1
InChIInChI=1S/C13H16F3N3O/c1-8-7-10(13(14,15)16)19-11(18-8)5-6-17-12(20)9-3-2-4-9/h7,9H,2-6H2,1H3,(H,17,20)
InChIKeyAPBOSDLKXXVUNS-UHFFFAOYSA-N
XLogP2.26
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.28
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4,6-Dimethyl-pyrimidin-2-yl)-piperidine-4-carboxylic acid cyclopropylamide
CID 3223293
N-cyclopropyl-1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carboxamide
CID 3224234
1-(4,6-dimethylpyrimidin-2-yl)-N-ethylpiperidine-3-carboxamide
CID 3224256
1-(4,6-Dimethyl-pyrimidin-2-yl)-piperidine-4-carboxylic acid (1,1-dimethyl-propyl)-amide
CID 653435
1-(4,6-Dimethyl-pyrimidin-2-yl)-piperidine-3-carboxylic acid cyclopentylamide
CID 655094
N-butyl-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide
CID 3223312
1-(4,6-dimethylpyrimidin-2-yl)-N-propan-2-ylpiperidine-3-carboxamide
CID 3224231
1-(4,6-Dimethyl-pyrimidin-2-yl)-piperidine-4-carboxylic acid propylamide
CID 655911
1-(4,6-Dimethyl-pyrimidin-2-yl)-piperidine-4-carboxylic acid sec-butylamide
CID 645777
N-[2-[2-cyclopropyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]ethyl]cyclobutanecarboxamide
CID 46974099
2,2-dimethyl-N-{2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl}propanamide
CID 71796939
2-ethoxy-N-(2-(4-methyl-6-(trifluoromethyl)pyrimidin-2-yl)ethyl)acetamide
CID 71796940

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]cyclobutanecarboxamide?
The IUPAC name of N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]cyclobutanecarboxamide (CID 71796938) is N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]cyclobutanecarboxamide?
The canonical SMILES for N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]cyclobutanecarboxamide is Cc1cc(C(F)(F)F)nc(CCNC(=O)C2CCC2)n1.
What is the InChIKey of N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]cyclobutanecarboxamide?
The InChIKey is APBOSDLKXXVUNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N3O/c1-8-7-10(13(14,15)16)19-11(18-8)5-6-17-12(20)9-3-2-4-9/h7,9H,2-6H2,1H3,(H,17,20).
What are the key properties of N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]cyclobutanecarboxamide?
N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]cyclobutanecarboxamide has a molecular weight of 287.28 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]cyclobutanecarboxamide is sourced from PubChem (CID 71796938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).