6-(2-aminoethyl)-N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-N,2-dimethylpyrimidin-4-amine

C15H22N6O — CID 56711460

IUPAC6-(2-aminoethyl)-N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-N,2-dimethylpyrimidin-4-amine
SMILESCc1nc(CCN)cc(N(C)Cc2noc(C3CCC3)n2)n1
InChIInChI=1S/C15H22N6O/c1-10-17-12(6-7-16)8-14(18-10)21(2)9-13-19-15(22-20-13)11-4-3-5-11/h8,11H,3-7,9,16H2,1-2H3
InChIKeyVIHZTKHJSKJQLS-UHFFFAOYSA-N
MW302.38 g/mol
LogP1.57
Rot. Bonds6

About 6-(2-aminoethyl)-N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-N,2-dimethylpyrimidin-4-amine

6-(2-aminoethyl)-N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-N,2-dimethylpyrimidin-4-amine (PubChem CID 56711460) has the molecular formula C15H22N6O and a molecular weight of 302.38 g/mol. Its IUPAC name is 6-(2-aminoethyl)-N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-N,2-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(2-aminoethyl)-N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-N,2-dimethylpyrimidin-4-amine
PubChem CID56711460
Molecular FormulaC15H22N6O
Molecular Weight302.38 g/mol
Exact Mass302.19
IUPAC Name6-(2-aminoethyl)-N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-N,2-dimethylpyrimidin-4-amine
SMILESCc1nc(CCN)cc(N(C)Cc2noc(C3CCC3)n2)n1
InChIInChI=1S/C15H22N6O/c1-10-17-12(6-7-16)8-14(18-10)21(2)9-13-19-15(22-20-13)11-4-3-5-11/h8,11H,3-7,9,16H2,1-2H3
InChIKeyVIHZTKHJSKJQLS-UHFFFAOYSA-N
XLogP1.57
TPSA93.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-(2-aminoethyl)-N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-N,2-dimethylpyrimidin-4-amine with MolForge

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Related Compounds

6-(cis-3-aminocyclobutyl)-N-{[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methyl}-4-pyrimidinamine dihydrochloride
CID 91788150
N-[2-[2-cyclopropyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]ethyl]cyclobutanecarboxamide
CID 46974099
5-Ethyl-3-[1-(6-ethylpyrimidin-4-yl)piperidin-3-yl]-1,2,4-oxadiazole
CID 72136108
6-ethyl-N-[(5-isobutyl-1,2,4-oxadiazol-3-yl)methyl]-N-methylpyrimidin-4-amine
CID 72869158
N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-N,2-dimethyl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-amine dihydrochloride
CID 56906253
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
4-N-[2-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)ethyl]-6-ethyl-5-methylpyrimidine-2,4-diamine
CID 72854349
6-isopropyl-N~4~-({3-[(methylthio)methyl]-1,2,4-oxadiazol-5-yl}methyl)pyrimidine-2,4-diamine
CID 72881443
6-{cis-3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)amino]cyclobutyl}-N~4~-methylpyrimidine-2,4-diamine
CID 91769546
6-(trans-3-aminocyclobutyl)-2-cyclopropyl-N-[(5-isopropyl-1,2,4-oxadiazol-3-yl)methyl]-4-pyrimidinamine dihydrochloride
CID 91785646
N-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methylpropyl]-6-ethylpyrimidin-4-amine
CID 97187990
6-ethyl-N,2-dimethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrimidin-4-amine
CID 132378327

Frequently Asked Questions

What is the IUPAC name of 6-(2-aminoethyl)-N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-N,2-dimethylpyrimidin-4-amine?
The IUPAC name of 6-(2-aminoethyl)-N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-N,2-dimethylpyrimidin-4-amine (CID 56711460) is 6-(2-aminoethyl)-N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-N,2-dimethylpyrimidin-4-amine.
What is the SMILES notation for 6-(2-aminoethyl)-N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-N,2-dimethylpyrimidin-4-amine?
The canonical SMILES for 6-(2-aminoethyl)-N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-N,2-dimethylpyrimidin-4-amine is Cc1nc(CCN)cc(N(C)Cc2noc(C3CCC3)n2)n1.
What is the InChIKey of 6-(2-aminoethyl)-N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-N,2-dimethylpyrimidin-4-amine?
The InChIKey is VIHZTKHJSKJQLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6O/c1-10-17-12(6-7-16)8-14(18-10)21(2)9-13-19-15(22-20-13)11-4-3-5-11/h8,11H,3-7,9,16H2,1-2H3.
What are the key properties of 6-(2-aminoethyl)-N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-N,2-dimethylpyrimidin-4-amine?
6-(2-aminoethyl)-N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-N,2-dimethylpyrimidin-4-amine has a molecular weight of 302.38 g/mol, XLogP of 1.57, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-aminoethyl)-N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-N,2-dimethylpyrimidin-4-amine is sourced from PubChem (CID 56711460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).