N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]propane-1-sulfonamide

C10H14F3N3O2S — CID 131892619

IUPACN-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCc1nc(C)cc(C(F)(F)F)n1
InChIInChI=1S/C10H14F3N3O2S/c1-3-4-19(17,18)14-6-9-15-7(2)5-8(16-9)10(11,12)13/h5,14H,3-4,6H2,1-2H3
InChIKeyCHEKMSBQDLGWRG-UHFFFAOYSA-N
MW297.30 g/mol
LogP1.63
Rot. Bonds5

About N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]propane-1-sulfonamide

N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]propane-1-sulfonamide (PubChem CID 131892619) has the molecular formula C10H14F3N3O2S and a molecular weight of 297.30 g/mol. Its IUPAC name is N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]propane-1-sulfonamide
PubChem CID131892619
Molecular FormulaC10H14F3N3O2S
Molecular Weight297.30 g/mol
Exact Mass297.08
IUPAC NameN-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCc1nc(C)cc(C(F)(F)F)n1
InChIInChI=1S/C10H14F3N3O2S/c1-3-4-19(17,18)14-6-9-15-7(2)5-8(16-9)10(11,12)13/h5,14H,3-4,6H2,1-2H3
InChIKeyCHEKMSBQDLGWRG-UHFFFAOYSA-N
XLogP1.63
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.30
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(methoxymethyl)-4-methyl-6-(trifluoromethyl)pyrimidine
CID 59096535
N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]butane-1-sulfonamide
CID 22207672
4-methyl-2-prop-2-enyl-6-(trifluoromethyl)pyrimidine
CID 58549929
2-(1-ethylpiperidin-4-yl)-N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]acetamide
CID 72939700
2-(2-ethyl-2-methyloctyl)-4-methyl-6-(trifluoromethyl)pyrimidine
CID 135265136
2-amino-4-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methylcarbamoylamino]butanoic acid
CID 67154320
N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]azepane-4-carboxamide
CID 122562699
N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 50961629
N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]-1,9-dioxaspiro[5.5]undecan-4-amine
CID 70707369
2-amino-N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]-5,6,7,8-tetrahydroquinazoline-4-carboxamide
CID 131895376
2-[(2-ethyl-6-methylpyrimidin-4-yl)amino]-N-methylethanesulfonamide
CID 114276539
ethyl 1-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]imidazole-2-carboxylate
CID 56871621

Frequently Asked Questions

What is the IUPAC name of N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]propane-1-sulfonamide?
The IUPAC name of N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]propane-1-sulfonamide (CID 131892619) is N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]propane-1-sulfonamide.
What is the SMILES notation for N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]propane-1-sulfonamide?
The canonical SMILES for N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]propane-1-sulfonamide is CCCS(=O)(=O)NCc1nc(C)cc(C(F)(F)F)n1.
What is the InChIKey of N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]propane-1-sulfonamide?
The InChIKey is CHEKMSBQDLGWRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3O2S/c1-3-4-19(17,18)14-6-9-15-7(2)5-8(16-9)10(11,12)13/h5,14H,3-4,6H2,1-2H3.
What are the key properties of N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]propane-1-sulfonamide?
N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]propane-1-sulfonamide has a molecular weight of 297.30 g/mol, XLogP of 1.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]propane-1-sulfonamide is sourced from PubChem (CID 131892619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).