N,N-dimethyl-3-[4-methyl-6-oxo-2-(trifluoromethyl)-1H-pyrimidin-5-yl]propanamide

C11H14F3N3O2 — CID 136743773

IUPACN,N-dimethyl-3-[4-methyl-6-oxo-2-(trifluoromethyl)-1H-pyrimidin-5-yl]propanamide
SMILESCc1nc(C(F)(F)F)[nH]c(=O)c1CCC(=O)N(C)C
InChIInChI=1S/C11H14F3N3O2/c1-6-7(4-5-8(18)17(2)3)9(19)16-10(15-6)11(12,13)14/h4-5H2,1-3H3,(H,15,16,19)
InChIKeySZUKDWKZERFOPL-UHFFFAOYSA-N
MW277.25 g/mol
LogP1.12
Rot. Bonds3

About N,N-dimethyl-3-[4-methyl-6-oxo-2-(trifluoromethyl)-1H-pyrimidin-5-yl]propanamide

N,N-dimethyl-3-[4-methyl-6-oxo-2-(trifluoromethyl)-1H-pyrimidin-5-yl]propanamide (PubChem CID 136743773) has the molecular formula C11H14F3N3O2 and a molecular weight of 277.25 g/mol. Its IUPAC name is N,N-dimethyl-3-[4-methyl-6-oxo-2-(trifluoromethyl)-1H-pyrimidin-5-yl]propanamide.

Molecular Properties

Compound NameN,N-dimethyl-3-[4-methyl-6-oxo-2-(trifluoromethyl)-1H-pyrimidin-5-yl]propanamide
PubChem CID136743773
Molecular FormulaC11H14F3N3O2
Molecular Weight277.25 g/mol
Exact Mass277.10
IUPAC NameN,N-dimethyl-3-[4-methyl-6-oxo-2-(trifluoromethyl)-1H-pyrimidin-5-yl]propanamide
SMILESCc1nc(C(F)(F)F)[nH]c(=O)c1CCC(=O)N(C)C
InChIInChI=1S/C11H14F3N3O2/c1-6-7(4-5-8(18)17(2)3)9(19)16-10(15-6)11(12,13)14/h4-5H2,1-3H3,(H,15,16,19)
InChIKeySZUKDWKZERFOPL-UHFFFAOYSA-N
XLogP1.12
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.25
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-Hydroxy-6-ethyl-5-propyl-2-(trifluoromethyl)pyrimidine
CID 135588820
6-Methyl-5-propyl-2-trifluoromethyl-4H-pyrimidin-4-one
CID 136088685
5-butyl-4-methyl-2-(trifluoromethyl)-1H-pyrimidin-6-one
CID 136160135
2-methyl-5-(3-oxobutyl)-4-(trifluoromethyl)-1H-pyrimidin-6-one
CID 155714077
3-(4-Hydroxy-2-trifluoromethyl-pyrimidin-5-yl)-N,N-dimethyl-propionamide
CID 99983903
3-(4,6-Dihydroxy-2-trifluoromethyl-pyrimidin-5-yl)-N,N-dimethyl-propionamide
CID 99983939
3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(2,2,2-trifluoroethoxy)propanamide
CID 136282975
N-(4,4-difluorocyclohexyl)-3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-methylpropanamide
CID 136542887
5-(3-aminopropyl)-2-methyl-4-(trifluoromethyl)-1H-pyrimidin-6-one
CID 136671940
N-(2,2-difluoroethyl)-3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(2-hydroxyethyl)propanamide
CID 136737790
2-(4-Hydroxy-6-methyl-2-trifluoromethyl-pyrimidin-5-yl)-N,N-dimethyl-acetamide
CID 136743772
4-(4-Hydroxy-6-methyl-2-trifluoromethyl-pyrimidin-5-yl)-N,N-dimethyl-butyramide
CID 136743774

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[4-methyl-6-oxo-2-(trifluoromethyl)-1H-pyrimidin-5-yl]propanamide?
The IUPAC name of N,N-dimethyl-3-[4-methyl-6-oxo-2-(trifluoromethyl)-1H-pyrimidin-5-yl]propanamide (CID 136743773) is N,N-dimethyl-3-[4-methyl-6-oxo-2-(trifluoromethyl)-1H-pyrimidin-5-yl]propanamide.
What is the SMILES notation for N,N-dimethyl-3-[4-methyl-6-oxo-2-(trifluoromethyl)-1H-pyrimidin-5-yl]propanamide?
The canonical SMILES for N,N-dimethyl-3-[4-methyl-6-oxo-2-(trifluoromethyl)-1H-pyrimidin-5-yl]propanamide is Cc1nc(C(F)(F)F)[nH]c(=O)c1CCC(=O)N(C)C.
What is the InChIKey of N,N-dimethyl-3-[4-methyl-6-oxo-2-(trifluoromethyl)-1H-pyrimidin-5-yl]propanamide?
The InChIKey is SZUKDWKZERFOPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3O2/c1-6-7(4-5-8(18)17(2)3)9(19)16-10(15-6)11(12,13)14/h4-5H2,1-3H3,(H,15,16,19).
What are the key properties of N,N-dimethyl-3-[4-methyl-6-oxo-2-(trifluoromethyl)-1H-pyrimidin-5-yl]propanamide?
N,N-dimethyl-3-[4-methyl-6-oxo-2-(trifluoromethyl)-1H-pyrimidin-5-yl]propanamide has a molecular weight of 277.25 g/mol, XLogP of 1.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[4-methyl-6-oxo-2-(trifluoromethyl)-1H-pyrimidin-5-yl]propanamide is sourced from PubChem (CID 136743773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).