N-[(4-morpholin-4-ylphenyl)methyl]-3-propan-2-yloxypyrazin-2-amine

C18H24N4O2 — CID 133442686

IUPACN-[(4-morpholin-4-ylphenyl)methyl]-3-propan-2-yloxypyrazin-2-amine
SMILESCC(C)Oc1nccnc1NCc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C18H24N4O2/c1-14(2)24-18-17(19-7-8-20-18)21-13-15-3-5-16(6-4-15)22-9-11-23-12-10-22/h3-8,14H,9-13H2,1-2H3,(H,19,21)
InChIKeyRALUBLQXZYJTBL-UHFFFAOYSA-N
MW328.42 g/mol
LogP2.71
Rot. Bonds6

About N-[(4-morpholin-4-ylphenyl)methyl]-3-propan-2-yloxypyrazin-2-amine

N-[(4-morpholin-4-ylphenyl)methyl]-3-propan-2-yloxypyrazin-2-amine (PubChem CID 133442686) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is N-[(4-morpholin-4-ylphenyl)methyl]-3-propan-2-yloxypyrazin-2-amine.

Molecular Properties

Compound NameN-[(4-morpholin-4-ylphenyl)methyl]-3-propan-2-yloxypyrazin-2-amine
PubChem CID133442686
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC NameN-[(4-morpholin-4-ylphenyl)methyl]-3-propan-2-yloxypyrazin-2-amine
SMILESCC(C)Oc1nccnc1NCc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C18H24N4O2/c1-14(2)24-18-17(19-7-8-20-18)21-13-15-3-5-16(6-4-15)22-9-11-23-12-10-22/h3-8,14H,9-13H2,1-2H3,(H,19,21)
InChIKeyRALUBLQXZYJTBL-UHFFFAOYSA-N
XLogP2.71
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-3-propan-2-yloxypyrazin-2-amine
CID 133442873
N-[(4-morpholin-4-ylphenyl)methyl]pyrimidin-5-amine
CID 107588098
(2R)-2-[(4-morpholin-4-ylphenyl)methylamino]propan-1-ol
CID 93082442
1-cyclopropyl-N-[(4-morpholin-4-ylphenyl)methyl]propan-2-amine
CID 63988276
4-morpholin-4-yl-N-(2-propan-2-yloxyethyl)aniline
CID 55025471
2,3,5,6-tetrafluoro-N-[(4-morpholin-4-ylphenyl)methyl]pyridin-4-amine
CID 133338821
N-[(4-morpholin-4-ylphenyl)methyl]but-2-yn-1-amine
CID 113342036
3-methyl-1-[(4-morpholin-4-ylphenyl)methylamino]butan-2-ol
CID 111422027
N-[2-(4-methylpiperidin-1-yl)ethyl]-3-propan-2-yloxypyrazin-2-amine
CID 133442218
N-(2-methoxy-2-phenylethyl)-3-propan-2-yloxypyrazin-2-amine
CID 133442641
4-methyl-3-[(4-morpholin-4-ylphenyl)methylamino]pentan-1-ol
CID 103700842
2-methyl-3-[(4-morpholin-4-ylphenyl)methylamino]propanenitrile
CID 55101596

Frequently Asked Questions

What is the IUPAC name of N-[(4-morpholin-4-ylphenyl)methyl]-3-propan-2-yloxypyrazin-2-amine?
The IUPAC name of N-[(4-morpholin-4-ylphenyl)methyl]-3-propan-2-yloxypyrazin-2-amine (CID 133442686) is N-[(4-morpholin-4-ylphenyl)methyl]-3-propan-2-yloxypyrazin-2-amine.
What is the SMILES notation for N-[(4-morpholin-4-ylphenyl)methyl]-3-propan-2-yloxypyrazin-2-amine?
The canonical SMILES for N-[(4-morpholin-4-ylphenyl)methyl]-3-propan-2-yloxypyrazin-2-amine is CC(C)Oc1nccnc1NCc1ccc(N2CCOCC2)cc1.
What is the InChIKey of N-[(4-morpholin-4-ylphenyl)methyl]-3-propan-2-yloxypyrazin-2-amine?
The InChIKey is RALUBLQXZYJTBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-14(2)24-18-17(19-7-8-20-18)21-13-15-3-5-16(6-4-15)22-9-11-23-12-10-22/h3-8,14H,9-13H2,1-2H3,(H,19,21).
What are the key properties of N-[(4-morpholin-4-ylphenyl)methyl]-3-propan-2-yloxypyrazin-2-amine?
N-[(4-morpholin-4-ylphenyl)methyl]-3-propan-2-yloxypyrazin-2-amine has a molecular weight of 328.42 g/mol, XLogP of 2.71, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-morpholin-4-ylphenyl)methyl]-3-propan-2-yloxypyrazin-2-amine is sourced from PubChem (CID 133442686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).