N-[(Z)-ethylideneamino]-N-methyl-1-(2-methylsulfanyl-6-morpholin-4-ylpyrimidin-4-yl)oxyethanamine

C14H23N5O2S — CID 166718741

IUPACN-[(Z)-ethylideneamino]-N-methyl-1-(2-methylsulfanyl-6-morpholin-4-ylpyrimidin-4-yl)oxyethanamine
SMILESC/C=N\N(C)C(C)Oc1cc(N2CCOCC2)nc(SC)n1
InChIInChI=1S/C14H23N5O2S/c1-5-15-18(3)11(2)21-13-10-12(16-14(17-13)22-4)19-6-8-20-9-7-19/h5,10-11H,6-9H2,1-4H3/b15-5-
InChIKeyLAFZNPOSHXVTFQ-WCSRMQSCSA-N
MW325.44 g/mol
LogP1.70
Rot. Bonds6

About N-[(Z)-ethylideneamino]-N-methyl-1-(2-methylsulfanyl-6-morpholin-4-ylpyrimidin-4-yl)oxyethanamine

N-[(Z)-ethylideneamino]-N-methyl-1-(2-methylsulfanyl-6-morpholin-4-ylpyrimidin-4-yl)oxyethanamine (PubChem CID 166718741) has the molecular formula C14H23N5O2S and a molecular weight of 325.44 g/mol. Its IUPAC name is N-[(Z)-ethylideneamino]-N-methyl-1-(2-methylsulfanyl-6-morpholin-4-ylpyrimidin-4-yl)oxyethanamine.

Molecular Properties

Compound NameN-[(Z)-ethylideneamino]-N-methyl-1-(2-methylsulfanyl-6-morpholin-4-ylpyrimidin-4-yl)oxyethanamine
PubChem CID166718741
Molecular FormulaC14H23N5O2S
Molecular Weight325.44 g/mol
Exact Mass325.16
IUPAC NameN-[(Z)-ethylideneamino]-N-methyl-1-(2-methylsulfanyl-6-morpholin-4-ylpyrimidin-4-yl)oxyethanamine
SMILESC/C=N\N(C)C(C)Oc1cc(N2CCOCC2)nc(SC)n1
InChIInChI=1S/C14H23N5O2S/c1-5-15-18(3)11(2)21-13-10-12(16-14(17-13)22-4)19-6-8-20-9-7-19/h5,10-11H,6-9H2,1-4H3/b15-5-
InChIKeyLAFZNPOSHXVTFQ-WCSRMQSCSA-N
XLogP1.70
TPSA63.08 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.44
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-ethylideneamino]-N-methyl-1-(2-methylsulfanyl-6-morpholin-4-ylpyrimidin-4-yl)oxyethanamine?
The IUPAC name of N-[(Z)-ethylideneamino]-N-methyl-1-(2-methylsulfanyl-6-morpholin-4-ylpyrimidin-4-yl)oxyethanamine (CID 166718741) is N-[(Z)-ethylideneamino]-N-methyl-1-(2-methylsulfanyl-6-morpholin-4-ylpyrimidin-4-yl)oxyethanamine.
What is the SMILES notation for N-[(Z)-ethylideneamino]-N-methyl-1-(2-methylsulfanyl-6-morpholin-4-ylpyrimidin-4-yl)oxyethanamine?
The canonical SMILES for N-[(Z)-ethylideneamino]-N-methyl-1-(2-methylsulfanyl-6-morpholin-4-ylpyrimidin-4-yl)oxyethanamine is C/C=N\N(C)C(C)Oc1cc(N2CCOCC2)nc(SC)n1.
What is the InChIKey of N-[(Z)-ethylideneamino]-N-methyl-1-(2-methylsulfanyl-6-morpholin-4-ylpyrimidin-4-yl)oxyethanamine?
The InChIKey is LAFZNPOSHXVTFQ-WCSRMQSCSA-N. The full InChI is InChI=1S/C14H23N5O2S/c1-5-15-18(3)11(2)21-13-10-12(16-14(17-13)22-4)19-6-8-20-9-7-19/h5,10-11H,6-9H2,1-4H3/b15-5-.
What are the key properties of N-[(Z)-ethylideneamino]-N-methyl-1-(2-methylsulfanyl-6-morpholin-4-ylpyrimidin-4-yl)oxyethanamine?
N-[(Z)-ethylideneamino]-N-methyl-1-(2-methylsulfanyl-6-morpholin-4-ylpyrimidin-4-yl)oxyethanamine has a molecular weight of 325.44 g/mol, XLogP of 1.70, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-ethylideneamino]-N-methyl-1-(2-methylsulfanyl-6-morpholin-4-ylpyrimidin-4-yl)oxyethanamine is sourced from PubChem (CID 166718741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).