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

C12H16F3N3O2 — CID 136743774

IUPACN,N-dimethyl-4-[4-methyl-6-oxo-2-(trifluoromethyl)-1H-pyrimidin-5-yl]butanamide
SMILESCc1nc(C(F)(F)F)[nH]c(=O)c1CCCC(=O)N(C)C
InChIInChI=1S/C12H16F3N3O2/c1-7-8(5-4-6-9(19)18(2)3)10(20)17-11(16-7)12(13,14)15/h4-6H2,1-3H3,(H,16,17,20)
InChIKeyGNKCXHDXIUQQJU-UHFFFAOYSA-N
MW291.27 g/mol
LogP1.51
Rot. Bonds4

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

N,N-dimethyl-4-[4-methyl-6-oxo-2-(trifluoromethyl)-1H-pyrimidin-5-yl]butanamide (PubChem CID 136743774) has the molecular formula C12H16F3N3O2 and a molecular weight of 291.27 g/mol. Its IUPAC name is N,N-dimethyl-4-[4-methyl-6-oxo-2-(trifluoromethyl)-1H-pyrimidin-5-yl]butanamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[4-methyl-6-oxo-2-(trifluoromethyl)-1H-pyrimidin-5-yl]butanamide
PubChem CID136743774
Molecular FormulaC12H16F3N3O2
Molecular Weight291.27 g/mol
Exact Mass291.12
IUPAC NameN,N-dimethyl-4-[4-methyl-6-oxo-2-(trifluoromethyl)-1H-pyrimidin-5-yl]butanamide
SMILESCc1nc(C(F)(F)F)[nH]c(=O)c1CCCC(=O)N(C)C
InChIInChI=1S/C12H16F3N3O2/c1-7-8(5-4-6-9(19)18(2)3)10(20)17-11(16-7)12(13,14)15/h4-6H2,1-3H3,(H,16,17,20)
InChIKeyGNKCXHDXIUQQJU-UHFFFAOYSA-N
XLogP1.51
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.27
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-Butyl-2,4-dimethyl-1,6-dihydropyrimidin-6-one
CID 137313605
4-Hydroxy-6-ethyl-5-propyl-2-(trifluoromethyl)pyrimidine
CID 135588820
2-(Trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-4-ol
CID 135742239
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
4-(4,6-Dihydroxy-2-trifluoromethyl-pyrimidin-5-yl)-N,N-dimethyl-butyramide
CID 99983944
2-(Trifluoromethyl)-6,7-dihydro-5h-cyclopenta[d]pyrimidin-4-ol
CID 136300114
N-(4,4-difluorocyclohexyl)-3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-methylpropanamide
CID 136542887
2-(4-Hydroxy-6-methyl-2-trifluoromethyl-pyrimidin-5-yl)-N,N-dimethyl-acetamide
CID 136743772
3-(4-Hydroxy-6-methyl-2-trifluoromethyl-pyrimidin-5-yl)-N,N-dimethyl-propionamide
CID 136743773
5-Butyl-2,3-diethyl-6-methylpyrimidin-4-one
CID 144396284

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[4-methyl-6-oxo-2-(trifluoromethyl)-1H-pyrimidin-5-yl]butanamide?
The IUPAC name of N,N-dimethyl-4-[4-methyl-6-oxo-2-(trifluoromethyl)-1H-pyrimidin-5-yl]butanamide (CID 136743774) is N,N-dimethyl-4-[4-methyl-6-oxo-2-(trifluoromethyl)-1H-pyrimidin-5-yl]butanamide.
What is the SMILES notation for N,N-dimethyl-4-[4-methyl-6-oxo-2-(trifluoromethyl)-1H-pyrimidin-5-yl]butanamide?
The canonical SMILES for N,N-dimethyl-4-[4-methyl-6-oxo-2-(trifluoromethyl)-1H-pyrimidin-5-yl]butanamide is Cc1nc(C(F)(F)F)[nH]c(=O)c1CCCC(=O)N(C)C.
What is the InChIKey of N,N-dimethyl-4-[4-methyl-6-oxo-2-(trifluoromethyl)-1H-pyrimidin-5-yl]butanamide?
The InChIKey is GNKCXHDXIUQQJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N3O2/c1-7-8(5-4-6-9(19)18(2)3)10(20)17-11(16-7)12(13,14)15/h4-6H2,1-3H3,(H,16,17,20).
What are the key properties of N,N-dimethyl-4-[4-methyl-6-oxo-2-(trifluoromethyl)-1H-pyrimidin-5-yl]butanamide?
N,N-dimethyl-4-[4-methyl-6-oxo-2-(trifluoromethyl)-1H-pyrimidin-5-yl]butanamide has a molecular weight of 291.27 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[4-methyl-6-oxo-2-(trifluoromethyl)-1H-pyrimidin-5-yl]butanamide is sourced from PubChem (CID 136743774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).