2-(diethylamino)-N-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)methyl]acetamide

C12H20N4O2 — CID 136663687

IUPAC2-(diethylamino)-N-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)methyl]acetamide
SMILESCCN(CC)CC(=O)NCc1cc(=O)[nH]c(C)n1
InChIInChI=1S/C12H20N4O2/c1-4-16(5-2)8-12(18)13-7-10-6-11(17)15-9(3)14-10/h6H,4-5,7-8H2,1-3H3,(H,13,18)(H,14,15,17)
InChIKeyMCJXNYBLUQCCRI-UHFFFAOYSA-N
MW252.32 g/mol
LogP0.04
Rot. Bonds6

About 2-(diethylamino)-N-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)methyl]acetamide

2-(diethylamino)-N-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)methyl]acetamide (PubChem CID 136663687) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 2-(diethylamino)-N-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(diethylamino)-N-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)methyl]acetamide
PubChem CID136663687
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name2-(diethylamino)-N-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)methyl]acetamide
SMILESCCN(CC)CC(=O)NCc1cc(=O)[nH]c(C)n1
InChIInChI=1S/C12H20N4O2/c1-4-16(5-2)8-12(18)13-7-10-6-11(17)15-9(3)14-10/h6H,4-5,7-8H2,1-3H3,(H,13,18)(H,14,15,17)
InChIKeyMCJXNYBLUQCCRI-UHFFFAOYSA-N
XLogP0.04
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-N-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)methyl]acetamide?
The IUPAC name of 2-(diethylamino)-N-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)methyl]acetamide (CID 136663687) is 2-(diethylamino)-N-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)methyl]acetamide.
What is the SMILES notation for 2-(diethylamino)-N-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)methyl]acetamide?
The canonical SMILES for 2-(diethylamino)-N-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)methyl]acetamide is CCN(CC)CC(=O)NCc1cc(=O)[nH]c(C)n1.
What is the InChIKey of 2-(diethylamino)-N-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)methyl]acetamide?
The InChIKey is MCJXNYBLUQCCRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-4-16(5-2)8-12(18)13-7-10-6-11(17)15-9(3)14-10/h6H,4-5,7-8H2,1-3H3,(H,13,18)(H,14,15,17).
What are the key properties of 2-(diethylamino)-N-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)methyl]acetamide?
2-(diethylamino)-N-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)methyl]acetamide has a molecular weight of 252.32 g/mol, XLogP of 0.04, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-N-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)methyl]acetamide is sourced from PubChem (CID 136663687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).