2-methyl-5-[2-(methylamino)ethyl]-3-propan-2-ylpyrimidin-4-one

C11H19N3O — CID 83884521

IUPAC2-methyl-5-[2-(methylamino)ethyl]-3-propan-2-ylpyrimidin-4-one
SMILESCNCCc1cnc(C)n(C(C)C)c1=O
InChIInChI=1S/C11H19N3O/c1-8(2)14-9(3)13-7-10(11(14)15)5-6-12-4/h7-8,12H,5-6H2,1-4H3
InChIKeyRUFJAJCQELCKKG-UHFFFAOYSA-N
MW209.29 g/mol
LogP0.89
Rot. Bonds4

About 2-methyl-5-[2-(methylamino)ethyl]-3-propan-2-ylpyrimidin-4-one

2-methyl-5-[2-(methylamino)ethyl]-3-propan-2-ylpyrimidin-4-one (PubChem CID 83884521) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 2-methyl-5-[2-(methylamino)ethyl]-3-propan-2-ylpyrimidin-4-one.

Molecular Properties

Compound Name2-methyl-5-[2-(methylamino)ethyl]-3-propan-2-ylpyrimidin-4-one
PubChem CID83884521
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name2-methyl-5-[2-(methylamino)ethyl]-3-propan-2-ylpyrimidin-4-one
SMILESCNCCc1cnc(C)n(C(C)C)c1=O
InChIInChI=1S/C11H19N3O/c1-8(2)14-9(3)13-7-10(11(14)15)5-6-12-4/h7-8,12H,5-6H2,1-4H3
InChIKeyRUFJAJCQELCKKG-UHFFFAOYSA-N
XLogP0.89
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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
2,5-diethyl-1H-pyrimidin-6-one
CID 53918073
1-methyl-4-methylidene-5-(2-methylprop-1-enylimino)-N-propan-2-ylpyrrole-3-carboxamide
CID 132126862
N,N-diethyl-2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetamide;ethane
CID 143940488
ethane;2-methyl-5-(2-oxo-2-pyrrolidin-1-ylethyl)-1H-pyrimidin-6-one
CID 143940516
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

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[2-(methylamino)ethyl]-3-propan-2-ylpyrimidin-4-one?
The IUPAC name of 2-methyl-5-[2-(methylamino)ethyl]-3-propan-2-ylpyrimidin-4-one (CID 83884521) is 2-methyl-5-[2-(methylamino)ethyl]-3-propan-2-ylpyrimidin-4-one.
What is the SMILES notation for 2-methyl-5-[2-(methylamino)ethyl]-3-propan-2-ylpyrimidin-4-one?
The canonical SMILES for 2-methyl-5-[2-(methylamino)ethyl]-3-propan-2-ylpyrimidin-4-one is CNCCc1cnc(C)n(C(C)C)c1=O.
What is the InChIKey of 2-methyl-5-[2-(methylamino)ethyl]-3-propan-2-ylpyrimidin-4-one?
The InChIKey is RUFJAJCQELCKKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-8(2)14-9(3)13-7-10(11(14)15)5-6-12-4/h7-8,12H,5-6H2,1-4H3.
What are the key properties of 2-methyl-5-[2-(methylamino)ethyl]-3-propan-2-ylpyrimidin-4-one?
2-methyl-5-[2-(methylamino)ethyl]-3-propan-2-ylpyrimidin-4-one has a molecular weight of 209.29 g/mol, XLogP of 0.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[2-(methylamino)ethyl]-3-propan-2-ylpyrimidin-4-one is sourced from PubChem (CID 83884521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).