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

C12H20N4O2 — CID 136557611

IUPACN,N-diethyl-2-[methyl-(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]acetamide
SMILESCCN(CC)C(=O)CN(C)c1cc(=O)[nH]c(C)n1
InChIInChI=1S/C12H20N4O2/c1-5-16(6-2)12(18)8-15(4)10-7-11(17)14-9(3)13-10/h7H,5-6,8H2,1-4H3,(H,13,14,17)
InChIKeyWRKWPPURQAKAQK-UHFFFAOYSA-N
MW252.32 g/mol
LogP0.38
Rot. Bonds5

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

N,N-diethyl-2-[methyl-(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]acetamide (PubChem CID 136557611) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is N,N-diethyl-2-[methyl-(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]acetamide.

Molecular Properties

Compound NameN,N-diethyl-2-[methyl-(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]acetamide
PubChem CID136557611
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC NameN,N-diethyl-2-[methyl-(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]acetamide
SMILESCCN(CC)C(=O)CN(C)c1cc(=O)[nH]c(C)n1
InChIInChI=1S/C12H20N4O2/c1-5-16(6-2)12(18)8-15(4)10-7-11(17)14-9(3)13-10/h7H,5-6,8H2,1-4H3,(H,13,14,17)
InChIKeyWRKWPPURQAKAQK-UHFFFAOYSA-N
XLogP0.38
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[methyl-(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]acetamide?
The IUPAC name of N,N-diethyl-2-[methyl-(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]acetamide (CID 136557611) is N,N-diethyl-2-[methyl-(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]acetamide.
What is the SMILES notation for N,N-diethyl-2-[methyl-(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]acetamide?
The canonical SMILES for N,N-diethyl-2-[methyl-(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]acetamide is CCN(CC)C(=O)CN(C)c1cc(=O)[nH]c(C)n1.
What is the InChIKey of N,N-diethyl-2-[methyl-(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]acetamide?
The InChIKey is WRKWPPURQAKAQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-5-16(6-2)12(18)8-15(4)10-7-11(17)14-9(3)13-10/h7H,5-6,8H2,1-4H3,(H,13,14,17).
What are the key properties of N,N-diethyl-2-[methyl-(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]acetamide?
N,N-diethyl-2-[methyl-(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]acetamide has a molecular weight of 252.32 g/mol, XLogP of 0.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[methyl-(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]acetamide is sourced from PubChem (CID 136557611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).