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

C11H18N4O2 — CID 136557613

IUPACN,N-diethyl-2-[methyl-(6-oxo-1H-pyrimidin-4-yl)amino]acetamide
SMILESCCN(CC)C(=O)CN(C)c1cc(=O)[nH]cn1
InChIInChI=1S/C11H18N4O2/c1-4-15(5-2)11(17)7-14(3)9-6-10(16)13-8-12-9/h6,8H,4-5,7H2,1-3H3,(H,12,13,16)
InChIKeyXTLBGBMYFGNSGP-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.07
Rot. Bonds5

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

N,N-diethyl-2-[methyl-(6-oxo-1H-pyrimidin-4-yl)amino]acetamide (PubChem CID 136557613) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is N,N-diethyl-2-[methyl-(6-oxo-1H-pyrimidin-4-yl)amino]acetamide.

Molecular Properties

Compound NameN,N-diethyl-2-[methyl-(6-oxo-1H-pyrimidin-4-yl)amino]acetamide
PubChem CID136557613
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC NameN,N-diethyl-2-[methyl-(6-oxo-1H-pyrimidin-4-yl)amino]acetamide
SMILESCCN(CC)C(=O)CN(C)c1cc(=O)[nH]cn1
InChIInChI=1S/C11H18N4O2/c1-4-15(5-2)11(17)7-14(3)9-6-10(16)13-8-12-9/h6,8H,4-5,7H2,1-3H3,(H,12,13,16)
InChIKeyXTLBGBMYFGNSGP-UHFFFAOYSA-N
XLogP0.07
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.07
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-(6-oxo-1H-pyrimidin-4-yl)amino]acetamide?
The IUPAC name of N,N-diethyl-2-[methyl-(6-oxo-1H-pyrimidin-4-yl)amino]acetamide (CID 136557613) is N,N-diethyl-2-[methyl-(6-oxo-1H-pyrimidin-4-yl)amino]acetamide.
What is the SMILES notation for N,N-diethyl-2-[methyl-(6-oxo-1H-pyrimidin-4-yl)amino]acetamide?
The canonical SMILES for N,N-diethyl-2-[methyl-(6-oxo-1H-pyrimidin-4-yl)amino]acetamide is CCN(CC)C(=O)CN(C)c1cc(=O)[nH]cn1.
What is the InChIKey of N,N-diethyl-2-[methyl-(6-oxo-1H-pyrimidin-4-yl)amino]acetamide?
The InChIKey is XTLBGBMYFGNSGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-4-15(5-2)11(17)7-14(3)9-6-10(16)13-8-12-9/h6,8H,4-5,7H2,1-3H3,(H,12,13,16).
What are the key properties of N,N-diethyl-2-[methyl-(6-oxo-1H-pyrimidin-4-yl)amino]acetamide?
N,N-diethyl-2-[methyl-(6-oxo-1H-pyrimidin-4-yl)amino]acetamide has a molecular weight of 238.29 g/mol, XLogP of 0.07, 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-(6-oxo-1H-pyrimidin-4-yl)amino]acetamide is sourced from PubChem (CID 136557613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).