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

C10H15N3O2 — CID 20671629

IUPAC6-methyl-5-(methylamino)-3-(3-oxobutan-2-yl)pyrimidin-4-one
SMILESCNc1c(C)ncn(C(C)C(C)=O)c1=O
InChIInChI=1S/C10H15N3O2/c1-6-9(11-4)10(15)13(5-12-6)7(2)8(3)14/h5,7,11H,1-4H3
InChIKeyZKHWZGOAINJRGJ-UHFFFAOYSA-N
MW209.25 g/mol
LogP0.74
Rot. Bonds3

About 6-methyl-5-(methylamino)-3-(3-oxobutan-2-yl)pyrimidin-4-one

6-methyl-5-(methylamino)-3-(3-oxobutan-2-yl)pyrimidin-4-one (PubChem CID 20671629) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is 6-methyl-5-(methylamino)-3-(3-oxobutan-2-yl)pyrimidin-4-one.

Molecular Properties

Compound Name6-methyl-5-(methylamino)-3-(3-oxobutan-2-yl)pyrimidin-4-one
PubChem CID20671629
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name6-methyl-5-(methylamino)-3-(3-oxobutan-2-yl)pyrimidin-4-one
SMILESCNc1c(C)ncn(C(C)C(C)=O)c1=O
InChIInChI=1S/C10H15N3O2/c1-6-9(11-4)10(15)13(5-12-6)7(2)8(3)14/h5,7,11H,1-4H3
InChIKeyZKHWZGOAINJRGJ-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 6-methyl-5-(methylamino)-3-(3-oxobutan-2-yl)pyrimidin-4-one?
The IUPAC name of 6-methyl-5-(methylamino)-3-(3-oxobutan-2-yl)pyrimidin-4-one (CID 20671629) is 6-methyl-5-(methylamino)-3-(3-oxobutan-2-yl)pyrimidin-4-one.
What is the SMILES notation for 6-methyl-5-(methylamino)-3-(3-oxobutan-2-yl)pyrimidin-4-one?
The canonical SMILES for 6-methyl-5-(methylamino)-3-(3-oxobutan-2-yl)pyrimidin-4-one is CNc1c(C)ncn(C(C)C(C)=O)c1=O.
What is the InChIKey of 6-methyl-5-(methylamino)-3-(3-oxobutan-2-yl)pyrimidin-4-one?
The InChIKey is ZKHWZGOAINJRGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-6-9(11-4)10(15)13(5-12-6)7(2)8(3)14/h5,7,11H,1-4H3.
What are the key properties of 6-methyl-5-(methylamino)-3-(3-oxobutan-2-yl)pyrimidin-4-one?
6-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 6-methyl-5-(methylamino)-3-(3-oxobutan-2-yl)pyrimidin-4-one is sourced from PubChem (CID 20671629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).