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

C18H21N7O2 — CID 50979486

IUPAC6-ethyl-2-morpholin-4-yl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]pyrimidin-4-amine
SMILESCCc1cc(NCc2nc(-c3cccnc3)no2)nc(N2CCOCC2)n1
InChIInChI=1S/C18H21N7O2/c1-2-14-10-15(22-18(21-14)25-6-8-26-9-7-25)20-12-16-23-17(24-27-16)13-4-3-5-19-11-13/h3-5,10-11H,2,6-9,12H2,1H3,(H,20,21,22)
InChIKeyLAQSRYIGYSWAKJ-UHFFFAOYSA-N
MW367.41 g/mol
LogP1.93
Rot. Bonds6

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

6-ethyl-2-morpholin-4-yl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]pyrimidin-4-amine (PubChem CID 50979486) has the molecular formula C18H21N7O2 and a molecular weight of 367.41 g/mol. Its IUPAC name is 6-ethyl-2-morpholin-4-yl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-ethyl-2-morpholin-4-yl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]pyrimidin-4-amine
PubChem CID50979486
Molecular FormulaC18H21N7O2
Molecular Weight367.41 g/mol
Exact Mass367.18
IUPAC Name6-ethyl-2-morpholin-4-yl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]pyrimidin-4-amine
SMILESCCc1cc(NCc2nc(-c3cccnc3)no2)nc(N2CCOCC2)n1
InChIInChI=1S/C18H21N7O2/c1-2-14-10-15(22-18(21-14)25-6-8-26-9-7-25)20-12-16-23-17(24-27-16)13-4-3-5-19-11-13/h3-5,10-11H,2,6-9,12H2,1H3,(H,20,21,22)
InChIKeyLAQSRYIGYSWAKJ-UHFFFAOYSA-N
XLogP1.93
TPSA102.09 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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

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Related Compounds

4-(4-ethyl-6-pyridin-3-ylpyrimidin-2-yl)morpholine
CID 39804563
6-ethyl-2-morpholin-4-yl-N-(2-pyridin-3-yloxypropyl)pyrimidin-4-amine
CID 134698488
2-morpholin-4-yl-6-phenyl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
CID 112935500
6-methyl-2-morpholin-4-yl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
CID 112912257
N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]propan-2-amine
CID 60708436
6-ethyl-2-morpholin-4-yl-N-[(1-phenyltetrazol-5-yl)methyl]pyrimidin-4-amine
CID 135096076
N-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methanamine;dihydrochloride
CID 54592854
1-(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)-N-(pyridin-3-ylmethyl)piperidin-4-amine
CID 72893953
N-(4-morpholin-4-ylphenyl)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 17354680
6-ethyl-N-propyl-2-pyridin-3-ylpyrimidin-4-amine
CID 62190215
N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-6-ethyl-2-morpholin-4-ylpyrimidin-4-amine
CID 134708604
6-ethyl-2-morpholin-4-yl-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]pyrimidin-4-amine
CID 50967293

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2-morpholin-4-yl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]pyrimidin-4-amine?
The IUPAC name of 6-ethyl-2-morpholin-4-yl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]pyrimidin-4-amine (CID 50979486) is 6-ethyl-2-morpholin-4-yl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 6-ethyl-2-morpholin-4-yl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]pyrimidin-4-amine?
The canonical SMILES for 6-ethyl-2-morpholin-4-yl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]pyrimidin-4-amine is CCc1cc(NCc2nc(-c3cccnc3)no2)nc(N2CCOCC2)n1.
What is the InChIKey of 6-ethyl-2-morpholin-4-yl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]pyrimidin-4-amine?
The InChIKey is LAQSRYIGYSWAKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N7O2/c1-2-14-10-15(22-18(21-14)25-6-8-26-9-7-25)20-12-16-23-17(24-27-16)13-4-3-5-19-11-13/h3-5,10-11H,2,6-9,12H2,1H3,(H,20,21,22).
What are the key properties of 6-ethyl-2-morpholin-4-yl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]pyrimidin-4-amine?
6-ethyl-2-morpholin-4-yl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]pyrimidin-4-amine has a molecular weight of 367.41 g/mol, XLogP of 1.93, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2-morpholin-4-yl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 50979486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).