N,2-dimethyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methylsulfonylpyrimidin-4-amine

C14H21N5O3S — CID 72855067

IUPACN,2-dimethyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methylsulfonylpyrimidin-4-amine
SMILESCc1ncc(S(C)(=O)=O)c(N(C)Cc2nc(CC(C)C)no2)n1
InChIInChI=1S/C14H21N5O3S/c1-9(2)6-12-17-13(22-18-12)8-19(4)14-11(23(5,20)21)7-15-10(3)16-14/h7,9H,6,8H2,1-5H3
InChIKeyXKHFYYMJGGBKMB-UHFFFAOYSA-N
MW339.42 g/mol
LogP1.41
Rot. Bonds6

About N,2-dimethyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methylsulfonylpyrimidin-4-amine

N,2-dimethyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methylsulfonylpyrimidin-4-amine (PubChem CID 72855067) has the molecular formula C14H21N5O3S and a molecular weight of 339.42 g/mol. Its IUPAC name is N,2-dimethyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methylsulfonylpyrimidin-4-amine.

Molecular Properties

Compound NameN,2-dimethyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methylsulfonylpyrimidin-4-amine
PubChem CID72855067
Molecular FormulaC14H21N5O3S
Molecular Weight339.42 g/mol
Exact Mass339.14
IUPAC NameN,2-dimethyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methylsulfonylpyrimidin-4-amine
SMILESCc1ncc(S(C)(=O)=O)c(N(C)Cc2nc(CC(C)C)no2)n1
InChIInChI=1S/C14H21N5O3S/c1-9(2)6-12-17-13(22-18-12)8-19(4)14-11(23(5,20)21)7-15-10(3)16-14/h7,9H,6,8H2,1-5H3
InChIKeyXKHFYYMJGGBKMB-UHFFFAOYSA-N
XLogP1.41
TPSA102.08 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze N,2-dimethyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methylsulfonylpyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,5-dimethyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-1H-pyrazole-4-carboxamide
CID 28769271
2-(4-fluorophenoxy)-N-methyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine
CID 134018560
1-(furan-3-yl)-N-methyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine
CID 131919991
1-(furan-2-yl)-N-(furan-2-ylmethyl)-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine
CID 134018549
3-(2-methylpropyl)-5-[(3-methylsulfonylphenoxy)methyl]-1,2,4-oxadiazole
CID 51081321
N,N,4-trimethyl-3-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methylamino]benzenesulfonamide
CID 134018234
3-[ethyl-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]amino]-2-methylpropanoic acid
CID 62852599
N-methyl-2-(4-methylphenyl)-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-6-oxo-1H-pyrimidine-5-carboxamide
CID 70718296
1-[ethyl-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]amino]-2-methylpropan-2-ol
CID 78962718
2,5-dimethoxy-N,4-dimethyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]benzenesulfonamide
CID 131893683
N-methyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine
CID 70715000
(2S)-N-cyclopentyl-2-[methyl-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]amino]propanamide
CID 95147928

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methylsulfonylpyrimidin-4-amine?
The IUPAC name of N,2-dimethyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methylsulfonylpyrimidin-4-amine (CID 72855067) is N,2-dimethyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methylsulfonylpyrimidin-4-amine.
What is the SMILES notation for N,2-dimethyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methylsulfonylpyrimidin-4-amine?
The canonical SMILES for N,2-dimethyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methylsulfonylpyrimidin-4-amine is Cc1ncc(S(C)(=O)=O)c(N(C)Cc2nc(CC(C)C)no2)n1.
What is the InChIKey of N,2-dimethyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methylsulfonylpyrimidin-4-amine?
The InChIKey is XKHFYYMJGGBKMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O3S/c1-9(2)6-12-17-13(22-18-12)8-19(4)14-11(23(5,20)21)7-15-10(3)16-14/h7,9H,6,8H2,1-5H3.
What are the key properties of N,2-dimethyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methylsulfonylpyrimidin-4-amine?
N,2-dimethyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methylsulfonylpyrimidin-4-amine has a molecular weight of 339.42 g/mol, XLogP of 1.41, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methylsulfonylpyrimidin-4-amine is sourced from PubChem (CID 72855067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).