2-methoxy-N-[2-[(4-propan-2-ylpyrimidin-2-yl)amino]ethyl]acetamide

C12H20N4O2 — CID 59137339

IUPAC2-methoxy-N-[2-[(4-propan-2-ylpyrimidin-2-yl)amino]ethyl]acetamide
SMILESCOCC(=O)NCCNc1nccc(C(C)C)n1
InChIInChI=1S/C12H20N4O2/c1-9(2)10-4-5-14-12(16-10)15-7-6-13-11(17)8-18-3/h4-5,9H,6-8H2,1-3H3,(H,13,17)(H,14,15,16)
InChIKeyWETQDAIOIUTJFK-UHFFFAOYSA-N
MW252.32 g/mol
LogP0.77
Rot. Bonds7

About 2-methoxy-N-[2-[(4-propan-2-ylpyrimidin-2-yl)amino]ethyl]acetamide

2-methoxy-N-[2-[(4-propan-2-ylpyrimidin-2-yl)amino]ethyl]acetamide (PubChem CID 59137339) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 2-methoxy-N-[2-[(4-propan-2-ylpyrimidin-2-yl)amino]ethyl]acetamide.

Molecular Properties

Compound Name2-methoxy-N-[2-[(4-propan-2-ylpyrimidin-2-yl)amino]ethyl]acetamide
PubChem CID59137339
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name2-methoxy-N-[2-[(4-propan-2-ylpyrimidin-2-yl)amino]ethyl]acetamide
SMILESCOCC(=O)NCCNc1nccc(C(C)C)n1
InChIInChI=1S/C12H20N4O2/c1-9(2)10-4-5-14-12(16-10)15-7-6-13-11(17)8-18-3/h4-5,9H,6-8H2,1-3H3,(H,13,17)(H,14,15,16)
InChIKeyWETQDAIOIUTJFK-UHFFFAOYSA-N
XLogP0.77
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 2-methoxy-N-[2-[(4-propan-2-ylpyrimidin-2-yl)amino]ethyl]acetamide?
The IUPAC name of 2-methoxy-N-[2-[(4-propan-2-ylpyrimidin-2-yl)amino]ethyl]acetamide (CID 59137339) is 2-methoxy-N-[2-[(4-propan-2-ylpyrimidin-2-yl)amino]ethyl]acetamide.
What is the SMILES notation for 2-methoxy-N-[2-[(4-propan-2-ylpyrimidin-2-yl)amino]ethyl]acetamide?
The canonical SMILES for 2-methoxy-N-[2-[(4-propan-2-ylpyrimidin-2-yl)amino]ethyl]acetamide is COCC(=O)NCCNc1nccc(C(C)C)n1.
What is the InChIKey of 2-methoxy-N-[2-[(4-propan-2-ylpyrimidin-2-yl)amino]ethyl]acetamide?
The InChIKey is WETQDAIOIUTJFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-9(2)10-4-5-14-12(16-10)15-7-6-13-11(17)8-18-3/h4-5,9H,6-8H2,1-3H3,(H,13,17)(H,14,15,16).
What are the key properties of 2-methoxy-N-[2-[(4-propan-2-ylpyrimidin-2-yl)amino]ethyl]acetamide?
2-methoxy-N-[2-[(4-propan-2-ylpyrimidin-2-yl)amino]ethyl]acetamide has a molecular weight of 252.32 g/mol, XLogP of 0.77, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[2-[(4-propan-2-ylpyrimidin-2-yl)amino]ethyl]acetamide is sourced from PubChem (CID 59137339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).