5-[[(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)amino]methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine

C16H19N7O — CID 133487610

IUPAC5-[[(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)amino]methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine
SMILESCCc1cc(NCc2nc(N(C)C)no2)nc(-c2ccccn2)n1
InChIInChI=1S/C16H19N7O/c1-4-11-9-13(18-10-14-21-16(22-24-14)23(2)3)20-15(19-11)12-7-5-6-8-17-12/h5-9H,4,10H2,1-3H3,(H,18,19,20)
InChIKeyHAIXOGSRFXSSHN-UHFFFAOYSA-N
MW325.38 g/mol
LogP2.16
Rot. Bonds6

About 5-[[(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)amino]methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine

5-[[(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)amino]methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine (PubChem CID 133487610) has the molecular formula C16H19N7O and a molecular weight of 325.38 g/mol. Its IUPAC name is 5-[[(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)amino]methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine.

Molecular Properties

Compound Name5-[[(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)amino]methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine
PubChem CID133487610
Molecular FormulaC16H19N7O
Molecular Weight325.38 g/mol
Exact Mass325.17
IUPAC Name5-[[(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)amino]methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine
SMILESCCc1cc(NCc2nc(N(C)C)no2)nc(-c2ccccn2)n1
InChIInChI=1S/C16H19N7O/c1-4-11-9-13(18-10-14-21-16(22-24-14)23(2)3)20-15(19-11)12-7-5-6-8-17-12/h5-9H,4,10H2,1-3H3,(H,18,19,20)
InChIKeyHAIXOGSRFXSSHN-UHFFFAOYSA-N
XLogP2.16
TPSA92.86 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.38
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 5-[[(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)amino]methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine with MolForge

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Related Compounds

6-ethyl-N-methyl-2-pyridin-2-ylpyrimidin-4-amine
CID 62191102
6-ethyl-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]-2-pyridin-2-ylpyrimidin-4-amine
CID 133291049
6-ethyl-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-2-pyridin-2-ylpyrimidin-4-amine
CID 133459201
N,6-dipropyl-2-pyridin-2-ylpyrimidin-4-amine
CID 62192681
6-ethyl-2-pyridin-2-yl-N-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methyl]pyrimidin-4-amine
CID 133295366
N-[[(7R)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methyl]-6-ethyl-2-pyridin-2-ylpyrimidin-4-amine
CID 99805928
6-ethyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-2-pyridin-2-ylpyrimidin-4-amine
CID 133294382
5-[(tert-butylamino)methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine
CID 115741669
2-[(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)amino]-N-phenylpropanamide
CID 133311048
methyl N-[4-[(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)amino]phenyl]-N-methylcarbamate
CID 91642537
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-ethyl-N-methyl-2-pyridin-2-ylpyrimidin-4-amine
CID 133291035
6-ethyl-2-pyridin-2-yl-N-(1-thiophen-2-ylpropyl)pyrimidin-4-amine
CID 133336468

Frequently Asked Questions

What is the IUPAC name of 5-[[(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)amino]methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine?
The IUPAC name of 5-[[(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)amino]methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine (CID 133487610) is 5-[[(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)amino]methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine.
What is the SMILES notation for 5-[[(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)amino]methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine?
The canonical SMILES for 5-[[(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)amino]methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine is CCc1cc(NCc2nc(N(C)C)no2)nc(-c2ccccn2)n1.
What is the InChIKey of 5-[[(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)amino]methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine?
The InChIKey is HAIXOGSRFXSSHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N7O/c1-4-11-9-13(18-10-14-21-16(22-24-14)23(2)3)20-15(19-11)12-7-5-6-8-17-12/h5-9H,4,10H2,1-3H3,(H,18,19,20).
What are the key properties of 5-[[(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)amino]methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine?
5-[[(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)amino]methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine has a molecular weight of 325.38 g/mol, XLogP of 2.16, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)amino]methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine is sourced from PubChem (CID 133487610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).