1,5,6-trimethyl-4-(methylamino)pyrimidin-2-one

C8H13N3O — CID 22948985

IUPAC1,5,6-trimethyl-4-(methylamino)pyrimidin-2-one
SMILESCNc1nc(=O)n(C)c(C)c1C
InChIInChI=1S/C8H13N3O/c1-5-6(2)11(4)8(12)10-7(5)9-3/h1-4H3,(H,9,10,12)
InChIKeyONJFIOWKHSULNQ-UHFFFAOYSA-N
MW167.21 g/mol
LogP0.44
Rot. Bonds1

About 1,5,6-trimethyl-4-(methylamino)pyrimidin-2-one

1,5,6-trimethyl-4-(methylamino)pyrimidin-2-one (PubChem CID 22948985) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is 1,5,6-trimethyl-4-(methylamino)pyrimidin-2-one.

Molecular Properties

Compound Name1,5,6-trimethyl-4-(methylamino)pyrimidin-2-one
PubChem CID22948985
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name1,5,6-trimethyl-4-(methylamino)pyrimidin-2-one
SMILESCNc1nc(=O)n(C)c(C)c1C
InChIInChI=1S/C8H13N3O/c1-5-6(2)11(4)8(12)10-7(5)9-3/h1-4H3,(H,9,10,12)
InChIKeyONJFIOWKHSULNQ-UHFFFAOYSA-N
XLogP0.44
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,5,6-trimethyl-4-(methylamino)pyrimidin-2-one?
The IUPAC name of 1,5,6-trimethyl-4-(methylamino)pyrimidin-2-one (CID 22948985) is 1,5,6-trimethyl-4-(methylamino)pyrimidin-2-one.
What is the SMILES notation for 1,5,6-trimethyl-4-(methylamino)pyrimidin-2-one?
The canonical SMILES for 1,5,6-trimethyl-4-(methylamino)pyrimidin-2-one is CNc1nc(=O)n(C)c(C)c1C.
What is the InChIKey of 1,5,6-trimethyl-4-(methylamino)pyrimidin-2-one?
The InChIKey is ONJFIOWKHSULNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c1-5-6(2)11(4)8(12)10-7(5)9-3/h1-4H3,(H,9,10,12).
What are the key properties of 1,5,6-trimethyl-4-(methylamino)pyrimidin-2-one?
1,5,6-trimethyl-4-(methylamino)pyrimidin-2-one has a molecular weight of 167.21 g/mol, XLogP of 0.44, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5,6-trimethyl-4-(methylamino)pyrimidin-2-one is sourced from PubChem (CID 22948985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).