4-[(6-ethoxy-5-methylpyrimidin-4-yl)amino]butanamide

C11H18N4O2 — CID 66326842

IUPAC4-[(6-ethoxy-5-methylpyrimidin-4-yl)amino]butanamide
SMILESCCOc1ncnc(NCCCC(N)=O)c1C
InChIInChI=1S/C11H18N4O2/c1-3-17-11-8(2)10(14-7-15-11)13-6-4-5-9(12)16/h7H,3-6H2,1-2H3,(H2,12,16)(H,13,14,15)
InChIKeyVRSSJDQWGDZSPR-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.86
Rot. Bonds7

About 4-[(6-ethoxy-5-methylpyrimidin-4-yl)amino]butanamide

4-[(6-ethoxy-5-methylpyrimidin-4-yl)amino]butanamide (PubChem CID 66326842) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 4-[(6-ethoxy-5-methylpyrimidin-4-yl)amino]butanamide.

Molecular Properties

Compound Name4-[(6-ethoxy-5-methylpyrimidin-4-yl)amino]butanamide
PubChem CID66326842
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Name4-[(6-ethoxy-5-methylpyrimidin-4-yl)amino]butanamide
SMILESCCOc1ncnc(NCCCC(N)=O)c1C
InChIInChI=1S/C11H18N4O2/c1-3-17-11-8(2)10(14-7-15-11)13-6-4-5-9(12)16/h7H,3-6H2,1-2H3,(H2,12,16)(H,13,14,15)
InChIKeyVRSSJDQWGDZSPR-UHFFFAOYSA-N
XLogP0.86
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.86
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 4-[(6-ethoxy-5-methylpyrimidin-4-yl)amino]butanamide?
The IUPAC name of 4-[(6-ethoxy-5-methylpyrimidin-4-yl)amino]butanamide (CID 66326842) is 4-[(6-ethoxy-5-methylpyrimidin-4-yl)amino]butanamide.
What is the SMILES notation for 4-[(6-ethoxy-5-methylpyrimidin-4-yl)amino]butanamide?
The canonical SMILES for 4-[(6-ethoxy-5-methylpyrimidin-4-yl)amino]butanamide is CCOc1ncnc(NCCCC(N)=O)c1C.
What is the InChIKey of 4-[(6-ethoxy-5-methylpyrimidin-4-yl)amino]butanamide?
The InChIKey is VRSSJDQWGDZSPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-3-17-11-8(2)10(14-7-15-11)13-6-4-5-9(12)16/h7H,3-6H2,1-2H3,(H2,12,16)(H,13,14,15).
What are the key properties of 4-[(6-ethoxy-5-methylpyrimidin-4-yl)amino]butanamide?
4-[(6-ethoxy-5-methylpyrimidin-4-yl)amino]butanamide has a molecular weight of 238.29 g/mol, XLogP of 0.86, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-ethoxy-5-methylpyrimidin-4-yl)amino]butanamide is sourced from PubChem (CID 66326842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).