N-[2-[(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]acetamide

C14H23N5O2 — CID 50973072

IUPACN-[2-[(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]acetamide
SMILESCCc1cc(NCCNC(C)=O)nc(N2CCOCC2)n1
InChIInChI=1S/C14H23N5O2/c1-3-12-10-13(16-5-4-15-11(2)20)18-14(17-12)19-6-8-21-9-7-19/h10H,3-9H2,1-2H3,(H,15,20)(H,16,17,18)
InChIKeyONXUTBBGWLKXLT-UHFFFAOYSA-N
MW293.37 g/mol
LogP0.42
Rot. Bonds6

About N-[2-[(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]acetamide

N-[2-[(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]acetamide (PubChem CID 50973072) has the molecular formula C14H23N5O2 and a molecular weight of 293.37 g/mol. Its IUPAC name is N-[2-[(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]acetamide
PubChem CID50973072
Molecular FormulaC14H23N5O2
Molecular Weight293.37 g/mol
Exact Mass293.19
IUPAC NameN-[2-[(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]acetamide
SMILESCCc1cc(NCCNC(C)=O)nc(N2CCOCC2)n1
InChIInChI=1S/C14H23N5O2/c1-3-12-10-13(16-5-4-15-11(2)20)18-14(17-12)19-6-8-21-9-7-19/h10H,3-9H2,1-2H3,(H,15,20)(H,16,17,18)
InChIKeyONXUTBBGWLKXLT-UHFFFAOYSA-N
XLogP0.42
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]acetamide?
The IUPAC name of N-[2-[(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]acetamide (CID 50973072) is N-[2-[(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]acetamide.
What is the SMILES notation for N-[2-[(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]acetamide?
The canonical SMILES for N-[2-[(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]acetamide is CCc1cc(NCCNC(C)=O)nc(N2CCOCC2)n1.
What is the InChIKey of N-[2-[(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]acetamide?
The InChIKey is ONXUTBBGWLKXLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O2/c1-3-12-10-13(16-5-4-15-11(2)20)18-14(17-12)19-6-8-21-9-7-19/h10H,3-9H2,1-2H3,(H,15,20)(H,16,17,18).
What are the key properties of N-[2-[(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]acetamide?
N-[2-[(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]acetamide has a molecular weight of 293.37 g/mol, XLogP of 0.42, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]acetamide is sourced from PubChem (CID 50973072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).