6-ethyl-N-methyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]pyrimidin-4-amine

C14H21N5O — CID 72869158

IUPAC6-ethyl-N-methyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]pyrimidin-4-amine
SMILESCCc1cc(N(C)Cc2noc(CC(C)C)n2)ncn1
InChIInChI=1S/C14H21N5O/c1-5-11-7-13(16-9-15-11)19(4)8-12-17-14(20-18-12)6-10(2)3/h7,9-10H,5-6,8H2,1-4H3
InChIKeyCTJABXCZFPLTKA-UHFFFAOYSA-N
MW275.36 g/mol
LogP2.26
Rot. Bonds6

About 6-ethyl-N-methyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]pyrimidin-4-amine

6-ethyl-N-methyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]pyrimidin-4-amine (PubChem CID 72869158) has the molecular formula C14H21N5O and a molecular weight of 275.36 g/mol. Its IUPAC name is 6-ethyl-N-methyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-ethyl-N-methyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]pyrimidin-4-amine
PubChem CID72869158
Molecular FormulaC14H21N5O
Molecular Weight275.36 g/mol
Exact Mass275.17
IUPAC Name6-ethyl-N-methyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]pyrimidin-4-amine
SMILESCCc1cc(N(C)Cc2noc(CC(C)C)n2)ncn1
InChIInChI=1S/C14H21N5O/c1-5-11-7-13(16-9-15-11)19(4)8-12-17-14(20-18-12)6-10(2)3/h7,9-10H,5-6,8H2,1-4H3
InChIKeyCTJABXCZFPLTKA-UHFFFAOYSA-N
XLogP2.26
TPSA67.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-ethyl-N-methyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]pyrimidin-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

6-(cis-3-aminocyclobutyl)-N-{[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methyl}-4-pyrimidinamine dihydrochloride
CID 91788150
6-ethyl-N-[(5-isopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-2-morpholin-4-ylpyrimidin-4-amine
CID 50978397
3-[1-(4-Methylpyrimidin-2-yl)piperidin-3-yl]-5-propan-2-yl-1,2,4-oxadiazole
CID 72130925
5-Ethyl-3-[1-(4-methylpyrimidin-2-yl)piperidin-3-yl]-1,2,4-oxadiazole
CID 72130927
5-Ethyl-3-[1-(6-ethylpyrimidin-4-yl)piperidin-3-yl]-1,2,4-oxadiazole
CID 72136108
5-[1-[4-(4-Ethyl-6-methylpyrimidin-2-yl)piperazin-1-yl]ethyl]-3-methyl-1,2,4-oxadiazole
CID 75455387
3-[1-(4,6-Dimethylpyrimidin-2-yl)piperidin-4-yl]-5-methyl-1,2,4-oxadiazole
CID 95824258
cis-3-{6-[[(5-Cyclopentyl-1,2,4-oxadiazol-3-yl)methyl](methyl)amino]pyrimidin-4-yl}cyclobutanol
CID 91761071
2-{4-[(5-Methyl-1,2,4-oxadiazol-3-YL)methyl]piperidin-1-YL}-4-(3,3,3-trifluoropropyl)pyrimidine
CID 56861431
N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine
CID 56865075
4-Ethyl-N,N-dimethyl-6-(4-{methyl[(5-methyl-1,2,4-oxadiazol-3-YL)methyl]amino}piperidin-1-YL)pyrimidin-2-amine
CID 72839381
6-Isopropyl-N-{[3-(methoxymethyl)-1,2,4-oxadiazol-5-YL]methyl}pyrimidin-4-amine
CID 72887749

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-N-methyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]pyrimidin-4-amine?
The IUPAC name of 6-ethyl-N-methyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]pyrimidin-4-amine (CID 72869158) is 6-ethyl-N-methyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]pyrimidin-4-amine.
What is the SMILES notation for 6-ethyl-N-methyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]pyrimidin-4-amine?
The canonical SMILES for 6-ethyl-N-methyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]pyrimidin-4-amine is CCc1cc(N(C)Cc2noc(CC(C)C)n2)ncn1.
What is the InChIKey of 6-ethyl-N-methyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]pyrimidin-4-amine?
The InChIKey is CTJABXCZFPLTKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O/c1-5-11-7-13(16-9-15-11)19(4)8-12-17-14(20-18-12)6-10(2)3/h7,9-10H,5-6,8H2,1-4H3.
What are the key properties of 6-ethyl-N-methyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]pyrimidin-4-amine?
6-ethyl-N-methyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]pyrimidin-4-amine has a molecular weight of 275.36 g/mol, XLogP of 2.26, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-N-methyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]pyrimidin-4-amine is sourced from PubChem (CID 72869158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).