ethane;2-methyl-5-(2-oxo-2-pyrrolidin-1-ylethyl)-1H-pyrimidin-6-one

C13H21N3O2 — CID 143940516

IUPACethane;2-methyl-5-(2-oxo-2-pyrrolidin-1-ylethyl)-1H-pyrimidin-6-one
SMILESCC.Cc1ncc(CC(=O)N2CCCC2)c(=O)[nH]1
InChIInChI=1S/C11H15N3O2.C2H6/c1-8-12-7-9(11(16)13-8)6-10(15)14-4-2-3-5-14;1-2/h7H,2-6H2,1H3,(H,12,13,16);1-2H3
InChIKeyZBFYYMKDNAOWQG-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.27
Rot. Bonds2

About ethane;2-methyl-5-(2-oxo-2-pyrrolidin-1-ylethyl)-1H-pyrimidin-6-one

ethane;2-methyl-5-(2-oxo-2-pyrrolidin-1-ylethyl)-1H-pyrimidin-6-one (PubChem CID 143940516) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is ethane;2-methyl-5-(2-oxo-2-pyrrolidin-1-ylethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Nameethane;2-methyl-5-(2-oxo-2-pyrrolidin-1-ylethyl)-1H-pyrimidin-6-one
PubChem CID143940516
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Nameethane;2-methyl-5-(2-oxo-2-pyrrolidin-1-ylethyl)-1H-pyrimidin-6-one
SMILESCC.Cc1ncc(CC(=O)N2CCCC2)c(=O)[nH]1
InChIInChI=1S/C11H15N3O2.C2H6/c1-8-12-7-9(11(16)13-8)6-10(15)14-4-2-3-5-14;1-2/h7H,2-6H2,1H3,(H,12,13,16);1-2H3
InChIKeyZBFYYMKDNAOWQG-UHFFFAOYSA-N
XLogP1.27
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-5-(2-oxo-2-{2-[2-(1-pyrrolidinyl)ethyl]-1-piperidinyl}ethyl)-4(3H)-pyrimidinone
CID 70711114
2-(4-Hydroxy-2-trifluoromethyl-pyrimidin-5-yl)-N,N-dimethyl-acetamide
CID 99983897
5-ethyl-2-pyrrolidin-3-yl-1H-pyrimidin-6-one
CID 84664919
2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)-N-[5-[6-oxo-5-(2-oxo-2-pyrrolidin-1-ylethyl)-1H-pyrimidin-2-yl]pentyl]acetamide
CID 90841217
5-(2-oxo-2-piperidin-1-ylethyl)-2-propan-2-yl-1H-pyrimidin-6-one
CID 90925807
N,N-diethyl-2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetamide;ethane
CID 143940488
2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
CID 143940523
2-methyl-5-(2-oxo-2-piperidin-1-ylethyl)-1H-pyrimidin-6-one
CID 143940576
N-butyl-2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetamide;ethane
CID 143940615
N-butyl-2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetamide;N,N-diethyl-2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetamide;ethane
CID 143940630
2-(2-butyl-6-oxo-1H-pyrimidin-5-yl)-N,N-dimethylacetamide
CID 169664171
3-(5-ethyl-6-oxo-1H-pyrimidin-2-yl)pyrrolidine-1-carboxylic acid
CID 175917195

Frequently Asked Questions

What is the IUPAC name of ethane;2-methyl-5-(2-oxo-2-pyrrolidin-1-ylethyl)-1H-pyrimidin-6-one?
The IUPAC name of ethane;2-methyl-5-(2-oxo-2-pyrrolidin-1-ylethyl)-1H-pyrimidin-6-one (CID 143940516) is ethane;2-methyl-5-(2-oxo-2-pyrrolidin-1-ylethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for ethane;2-methyl-5-(2-oxo-2-pyrrolidin-1-ylethyl)-1H-pyrimidin-6-one?
The canonical SMILES for ethane;2-methyl-5-(2-oxo-2-pyrrolidin-1-ylethyl)-1H-pyrimidin-6-one is CC.Cc1ncc(CC(=O)N2CCCC2)c(=O)[nH]1.
What is the InChIKey of ethane;2-methyl-5-(2-oxo-2-pyrrolidin-1-ylethyl)-1H-pyrimidin-6-one?
The InChIKey is ZBFYYMKDNAOWQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2.C2H6/c1-8-12-7-9(11(16)13-8)6-10(15)14-4-2-3-5-14;1-2/h7H,2-6H2,1H3,(H,12,13,16);1-2H3.
What are the key properties of ethane;2-methyl-5-(2-oxo-2-pyrrolidin-1-ylethyl)-1H-pyrimidin-6-one?
ethane;2-methyl-5-(2-oxo-2-pyrrolidin-1-ylethyl)-1H-pyrimidin-6-one has a molecular weight of 251.33 g/mol, XLogP of 1.27, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methyl-5-(2-oxo-2-pyrrolidin-1-ylethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 143940516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).