6-amino-2-methyl-3-(2-oxobutyl)pyrimidin-4-one

C9H13N3O2 — CID 101430038

IUPAC6-amino-2-methyl-3-(2-oxobutyl)pyrimidin-4-one
SMILESCCC(=O)Cn1c(C)nc(N)cc1=O
InChIInChI=1S/C9H13N3O2/c1-3-7(13)5-12-6(2)11-8(10)4-9(12)14/h4H,3,5,10H2,1-2H3
InChIKeyHOGMJEWKBZUVTN-UHFFFAOYSA-N
MW195.22 g/mol
LogP0.11
Rot. Bonds3

About 6-amino-2-methyl-3-(2-oxobutyl)pyrimidin-4-one

6-amino-2-methyl-3-(2-oxobutyl)pyrimidin-4-one (PubChem CID 101430038) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is 6-amino-2-methyl-3-(2-oxobutyl)pyrimidin-4-one.

Molecular Properties

Compound Name6-amino-2-methyl-3-(2-oxobutyl)pyrimidin-4-one
PubChem CID101430038
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Name6-amino-2-methyl-3-(2-oxobutyl)pyrimidin-4-one
SMILESCCC(=O)Cn1c(C)nc(N)cc1=O
InChIInChI=1S/C9H13N3O2/c1-3-7(13)5-12-6(2)11-8(10)4-9(12)14/h4H,3,5,10H2,1-2H3
InChIKeyHOGMJEWKBZUVTN-UHFFFAOYSA-N
XLogP0.11
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-amino-2-methyl-3-(2-oxobutyl)pyrimidin-4-one?
The IUPAC name of 6-amino-2-methyl-3-(2-oxobutyl)pyrimidin-4-one (CID 101430038) is 6-amino-2-methyl-3-(2-oxobutyl)pyrimidin-4-one.
What is the SMILES notation for 6-amino-2-methyl-3-(2-oxobutyl)pyrimidin-4-one?
The canonical SMILES for 6-amino-2-methyl-3-(2-oxobutyl)pyrimidin-4-one is CCC(=O)Cn1c(C)nc(N)cc1=O.
What is the InChIKey of 6-amino-2-methyl-3-(2-oxobutyl)pyrimidin-4-one?
The InChIKey is HOGMJEWKBZUVTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c1-3-7(13)5-12-6(2)11-8(10)4-9(12)14/h4H,3,5,10H2,1-2H3.
What are the key properties of 6-amino-2-methyl-3-(2-oxobutyl)pyrimidin-4-one?
6-amino-2-methyl-3-(2-oxobutyl)pyrimidin-4-one has a molecular weight of 195.22 g/mol, XLogP of 0.11, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-methyl-3-(2-oxobutyl)pyrimidin-4-one is sourced from PubChem (CID 101430038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).