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

C17H24N6O3 — CID 50959063

IUPAC6-ethyl-2-morpholin-4-yl-N-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]pyrimidin-4-amine
SMILESCCc1cc(NCc2noc(C3CCCO3)n2)nc(N2CCOCC2)n1
InChIInChI=1S/C17H24N6O3/c1-2-12-10-14(21-17(19-12)23-5-8-24-9-6-23)18-11-15-20-16(26-22-15)13-4-3-7-25-13/h10,13H,2-9,11H2,1H3,(H,18,19,21)
InChIKeyUJJDYSJBPUKXJJ-UHFFFAOYSA-N
MW360.42 g/mol
LogP1.72
Rot. Bonds6

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

6-ethyl-2-morpholin-4-yl-N-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]pyrimidin-4-amine (PubChem CID 50959063) has the molecular formula C17H24N6O3 and a molecular weight of 360.42 g/mol. Its IUPAC name is 6-ethyl-2-morpholin-4-yl-N-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-ethyl-2-morpholin-4-yl-N-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]pyrimidin-4-amine
PubChem CID50959063
Molecular FormulaC17H24N6O3
Molecular Weight360.42 g/mol
Exact Mass360.19
IUPAC Name6-ethyl-2-morpholin-4-yl-N-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]pyrimidin-4-amine
SMILESCCc1cc(NCc2noc(C3CCCO3)n2)nc(N2CCOCC2)n1
InChIInChI=1S/C17H24N6O3/c1-2-12-10-14(21-17(19-12)23-5-8-24-9-6-23)18-11-15-20-16(26-22-15)13-4-3-7-25-13/h10,13H,2-9,11H2,1H3,(H,18,19,21)
InChIKeyUJJDYSJBPUKXJJ-UHFFFAOYSA-N
XLogP1.72
TPSA98.43 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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

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Launch Full Analysis

Related Compounds

N-(2-((4-methyl-6-(piperidin-1-yl)pyrimidin-2-yl)amino)ethyl)tetrahydrofuran-2-carboxamide
CID 49676090
N-{[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl}-6-methyl-2-piperidin-1-ylpyrimidin-4-amine
CID 50984532
N-{2-[2-(Cyclopropylamino)-6-(morpholin-4-YL)pyrimidin-4-YL]ethyl}oxolane-2-carboxamide
CID 110225639
6-(2-aminoethyl)-N-{[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl}-2-methylpyrimidin-4-amine
CID 45198176
6-methyl-2-phenyl-N-{[5-(tetrahydrofuran-2-yl)-1,2,4-oxadiazol-3-yl]methyl}pyrimidin-4-amine
CID 50956291
6-ethyl-N-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-2-morpholin-4-ylpyrimidin-4-amine
CID 50974100
(2S)-N-[2-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]ethyl]oxolane-2-carboxamide
CID 52200149
(2R)-N-[2-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]ethyl]oxolane-2-carboxamide
CID 52200150
[4-(2-Methyl-6-piperidin-4-ylpyrimidin-4-yl)-1,4-diazepan-1-yl]-(oxolan-2-yl)methanone
CID 56715867
1-[2-methyl-4-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone
CID 56866168
1-(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-amine
CID 72940733
N~4~-{2-[5-(tetrahydrofuran-2-yl)-1,2,4-oxadiazol-3-yl]ethyl}-5,6,7,8-tetrahydroquinazoline-2,4-diamine
CID 72940735

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2-morpholin-4-yl-N-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]pyrimidin-4-amine?
The IUPAC name of 6-ethyl-2-morpholin-4-yl-N-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]pyrimidin-4-amine (CID 50959063) is 6-ethyl-2-morpholin-4-yl-N-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]pyrimidin-4-amine.
What is the SMILES notation for 6-ethyl-2-morpholin-4-yl-N-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]pyrimidin-4-amine?
The canonical SMILES for 6-ethyl-2-morpholin-4-yl-N-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]pyrimidin-4-amine is CCc1cc(NCc2noc(C3CCCO3)n2)nc(N2CCOCC2)n1.
What is the InChIKey of 6-ethyl-2-morpholin-4-yl-N-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]pyrimidin-4-amine?
The InChIKey is UJJDYSJBPUKXJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O3/c1-2-12-10-14(21-17(19-12)23-5-8-24-9-6-23)18-11-15-20-16(26-22-15)13-4-3-7-25-13/h10,13H,2-9,11H2,1H3,(H,18,19,21).
What are the key properties of 6-ethyl-2-morpholin-4-yl-N-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]pyrimidin-4-amine?
6-ethyl-2-morpholin-4-yl-N-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]pyrimidin-4-amine has a molecular weight of 360.42 g/mol, XLogP of 1.72, 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-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]pyrimidin-4-amine is sourced from PubChem (CID 50959063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).