N,N-diethyl-2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetamide;ethane

C13H23N3O2 — CID 143940488

IUPACN,N-diethyl-2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetamide;ethane
SMILESCC.CCN(CC)C(=O)Cc1cnc(C)[nH]c1=O
InChIInChI=1S/C11H17N3O2.C2H6/c1-4-14(5-2)10(15)6-9-7-12-8(3)13-11(9)16;1-2/h7H,4-6H2,1-3H3,(H,12,13,16);1-2H3
InChIKeyDTYVSZDWEYZQLA-UHFFFAOYSA-N
MW253.35 g/mol
LogP1.52
Rot. Bonds4

About N,N-diethyl-2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetamide;ethane

N,N-diethyl-2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetamide;ethane (PubChem CID 143940488) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is N,N-diethyl-2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetamide;ethane.

Molecular Properties

Compound NameN,N-diethyl-2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetamide;ethane
PubChem CID143940488
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC NameN,N-diethyl-2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetamide;ethane
SMILESCC.CCN(CC)C(=O)Cc1cnc(C)[nH]c1=O
InChIInChI=1S/C11H17N3O2.C2H6/c1-4-14(5-2)10(15)6-9-7-12-8(3)13-11(9)16;1-2/h7H,4-6H2,1-3H3,(H,12,13,16);1-2H3
InChIKeyDTYVSZDWEYZQLA-UHFFFAOYSA-N
XLogP1.52
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-ethyl-2-(fluoromethyl)-1H-pyrimidin-6-one
CID 152078762
2-(4-Hydroxy-2-trifluoromethyl-pyrimidin-5-yl)-N,N-dimethyl-acetamide
CID 99983897
5-ethyl-2-methyl-1H-pyrimidin-6-one
CID 5015079
2-methyl-5-propan-2-yl-1H-pyrimidin-6-one
CID 24903697
2,5-di(propan-2-yl)-1H-pyrimidin-6-one
CID 24903699
5-ethyl-2-propan-2-yl-1H-pyrimidin-6-one
CID 24903855
2-tert-butyl-5-ethyl-1H-pyrimidin-6-one
CID 24903858
2,5-diethyl-1H-pyrimidin-6-one
CID 53918073
N-butyl-2-[6-oxo-2-(1-sulfanylethyl)-1H-pyrimidin-5-yl]acetamide
CID 90875368
5-(2-oxo-2-piperidin-1-ylethyl)-2-propan-2-yl-1H-pyrimidin-6-one
CID 90925807
2-(4-Oxopyrazino[1,2-a]pyrimidin-3-yl)acetamide
CID 139979752
ethane;2-methyl-5-(2-oxo-2-pyrrolidin-1-ylethyl)-1H-pyrimidin-6-one
CID 143940516

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetamide;ethane?
The IUPAC name of N,N-diethyl-2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetamide;ethane (CID 143940488) is N,N-diethyl-2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetamide;ethane.
What is the SMILES notation for N,N-diethyl-2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetamide;ethane?
The canonical SMILES for N,N-diethyl-2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetamide;ethane is CC.CCN(CC)C(=O)Cc1cnc(C)[nH]c1=O.
What is the InChIKey of N,N-diethyl-2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetamide;ethane?
The InChIKey is DTYVSZDWEYZQLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2.C2H6/c1-4-14(5-2)10(15)6-9-7-12-8(3)13-11(9)16;1-2/h7H,4-6H2,1-3H3,(H,12,13,16);1-2H3.
What are the key properties of N,N-diethyl-2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetamide;ethane?
N,N-diethyl-2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetamide;ethane has a molecular weight of 253.35 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetamide;ethane is sourced from PubChem (CID 143940488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).