2-[2-[[6-(ethylamino)-2-propylpyrimidin-4-yl]amino]ethoxy]acetamide

C13H23N5O2 — CID 106241808

IUPAC2-[2-[[6-(ethylamino)-2-propylpyrimidin-4-yl]amino]ethoxy]acetamide
SMILESCCCc1nc(NCC)cc(NCCOCC(N)=O)n1
InChIInChI=1S/C13H23N5O2/c1-3-5-11-17-12(15-4-2)8-13(18-11)16-6-7-20-9-10(14)19/h8H,3-7,9H2,1-2H3,(H2,14,19)(H2,15,16,17,18)
InChIKeyZGXDUWYKDZXPON-UHFFFAOYSA-N
MW281.36 g/mol
LogP0.77
Rot. Bonds10

About 2-[2-[[6-(ethylamino)-2-propylpyrimidin-4-yl]amino]ethoxy]acetamide

2-[2-[[6-(ethylamino)-2-propylpyrimidin-4-yl]amino]ethoxy]acetamide (PubChem CID 106241808) has the molecular formula C13H23N5O2 and a molecular weight of 281.36 g/mol. Its IUPAC name is 2-[2-[[6-(ethylamino)-2-propylpyrimidin-4-yl]amino]ethoxy]acetamide.

Molecular Properties

Compound Name2-[2-[[6-(ethylamino)-2-propylpyrimidin-4-yl]amino]ethoxy]acetamide
PubChem CID106241808
Molecular FormulaC13H23N5O2
Molecular Weight281.36 g/mol
Exact Mass281.19
IUPAC Name2-[2-[[6-(ethylamino)-2-propylpyrimidin-4-yl]amino]ethoxy]acetamide
SMILESCCCc1nc(NCC)cc(NCCOCC(N)=O)n1
InChIInChI=1S/C13H23N5O2/c1-3-5-11-17-12(15-4-2)8-13(18-11)16-6-7-20-9-10(14)19/h8H,3-7,9H2,1-2H3,(H2,14,19)(H2,15,16,17,18)
InChIKeyZGXDUWYKDZXPON-UHFFFAOYSA-N
XLogP0.77
TPSA102.16 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 50.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[[2-propyl-6-(propylamino)pyrimidin-4-yl]amino]ethoxy]acetamide
CID 106241892
2-[2-[(2-ethyl-6-hydrazinylpyrimidin-4-yl)amino]ethoxy]acetamide
CID 106242008
2-[[6-(ethylamino)-2-propylpyrimidin-4-yl]amino]acetamide
CID 80945317
2-[2-[[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]amino]ethoxy]acetamide
CID 114162689
2-[3-[[6-(ethylamino)-2-propylpyrimidin-4-yl]amino]propoxy]ethanol
CID 106311467
2-[2-[[6-(propylamino)-2-pyridinyl]amino]ethoxy]acetamide
CID 106241754
2-[2-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]ethoxy]acetamide
CID 106239169
3-[[2-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]propanamide
CID 80933202
N-[2-(2-amino-2-oxoethoxy)ethyl]-2-ethyl-6-(ethylamino)pyridine-4-carboxamide
CID 106241202
N-[2-(2-amino-2-oxoethoxy)ethyl]-2-chloro-6-(ethylamino)pyridine-4-carboxamide
CID 106241191
2-[2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]ethoxy]acetamide
CID 136805706
4-[[2-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]butanamide
CID 80933799

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[6-(ethylamino)-2-propylpyrimidin-4-yl]amino]ethoxy]acetamide?
The IUPAC name of 2-[2-[[6-(ethylamino)-2-propylpyrimidin-4-yl]amino]ethoxy]acetamide (CID 106241808) is 2-[2-[[6-(ethylamino)-2-propylpyrimidin-4-yl]amino]ethoxy]acetamide.
What is the SMILES notation for 2-[2-[[6-(ethylamino)-2-propylpyrimidin-4-yl]amino]ethoxy]acetamide?
The canonical SMILES for 2-[2-[[6-(ethylamino)-2-propylpyrimidin-4-yl]amino]ethoxy]acetamide is CCCc1nc(NCC)cc(NCCOCC(N)=O)n1.
What is the InChIKey of 2-[2-[[6-(ethylamino)-2-propylpyrimidin-4-yl]amino]ethoxy]acetamide?
The InChIKey is ZGXDUWYKDZXPON-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O2/c1-3-5-11-17-12(15-4-2)8-13(18-11)16-6-7-20-9-10(14)19/h8H,3-7,9H2,1-2H3,(H2,14,19)(H2,15,16,17,18).
What are the key properties of 2-[2-[[6-(ethylamino)-2-propylpyrimidin-4-yl]amino]ethoxy]acetamide?
2-[2-[[6-(ethylamino)-2-propylpyrimidin-4-yl]amino]ethoxy]acetamide has a molecular weight of 281.36 g/mol, XLogP of 0.77, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[6-(ethylamino)-2-propylpyrimidin-4-yl]amino]ethoxy]acetamide is sourced from PubChem (CID 106241808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).