2-methyl-5-(methylamino)-3-(3-oxobutan-2-yl)pyrimidin-4-one

C10H15N3O2 — CID 20671584

IUPAC2-methyl-5-(methylamino)-3-(3-oxobutan-2-yl)pyrimidin-4-one
SMILESCNc1cnc(C)n(C(C)C(C)=O)c1=O
InChIInChI=1S/C10H15N3O2/c1-6(7(2)14)13-8(3)12-5-9(11-4)10(13)15/h5-6,11H,1-4H3
InChIKeyKSAIHQGMOAQMAO-UHFFFAOYSA-N
MW209.25 g/mol
LogP0.74
Rot. Bonds3

About 2-methyl-5-(methylamino)-3-(3-oxobutan-2-yl)pyrimidin-4-one

2-methyl-5-(methylamino)-3-(3-oxobutan-2-yl)pyrimidin-4-one (PubChem CID 20671584) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is 2-methyl-5-(methylamino)-3-(3-oxobutan-2-yl)pyrimidin-4-one.

Molecular Properties

Compound Name2-methyl-5-(methylamino)-3-(3-oxobutan-2-yl)pyrimidin-4-one
PubChem CID20671584
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name2-methyl-5-(methylamino)-3-(3-oxobutan-2-yl)pyrimidin-4-one
SMILESCNc1cnc(C)n(C(C)C(C)=O)c1=O
InChIInChI=1S/C10H15N3O2/c1-6(7(2)14)13-8(3)12-5-9(11-4)10(13)15/h5-6,11H,1-4H3
InChIKeyKSAIHQGMOAQMAO-UHFFFAOYSA-N
XLogP0.74
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(methylamino)-3-(3-oxobutan-2-yl)pyrimidin-4-one?
The IUPAC name of 2-methyl-5-(methylamino)-3-(3-oxobutan-2-yl)pyrimidin-4-one (CID 20671584) is 2-methyl-5-(methylamino)-3-(3-oxobutan-2-yl)pyrimidin-4-one.
What is the SMILES notation for 2-methyl-5-(methylamino)-3-(3-oxobutan-2-yl)pyrimidin-4-one?
The canonical SMILES for 2-methyl-5-(methylamino)-3-(3-oxobutan-2-yl)pyrimidin-4-one is CNc1cnc(C)n(C(C)C(C)=O)c1=O.
What is the InChIKey of 2-methyl-5-(methylamino)-3-(3-oxobutan-2-yl)pyrimidin-4-one?
The InChIKey is KSAIHQGMOAQMAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-6(7(2)14)13-8(3)12-5-9(11-4)10(13)15/h5-6,11H,1-4H3.
What are the key properties of 2-methyl-5-(methylamino)-3-(3-oxobutan-2-yl)pyrimidin-4-one?
2-methyl-5-(methylamino)-3-(3-oxobutan-2-yl)pyrimidin-4-one has a molecular weight of 209.25 g/mol, XLogP of 0.74, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(methylamino)-3-(3-oxobutan-2-yl)pyrimidin-4-one is sourced from PubChem (CID 20671584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).