4,6-dimethyl-1-[4-(methylamino)butyl]pyrimidin-2-one

C11H19N3O — CID 62562050

IUPAC4,6-dimethyl-1-[4-(methylamino)butyl]pyrimidin-2-one
SMILESCNCCCCn1c(C)cc(C)nc1=O
InChIInChI=1S/C11H19N3O/c1-9-8-10(2)14(11(15)13-9)7-5-4-6-12-3/h8,12H,4-7H2,1-3H3
InChIKeyVQNXDAZWPJCOPF-UHFFFAOYSA-N
MW209.29 g/mol
LogP0.86
Rot. Bonds5

About 4,6-dimethyl-1-[4-(methylamino)butyl]pyrimidin-2-one

4,6-dimethyl-1-[4-(methylamino)butyl]pyrimidin-2-one (PubChem CID 62562050) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 4,6-dimethyl-1-[4-(methylamino)butyl]pyrimidin-2-one.

Molecular Properties

Compound Name4,6-dimethyl-1-[4-(methylamino)butyl]pyrimidin-2-one
PubChem CID62562050
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name4,6-dimethyl-1-[4-(methylamino)butyl]pyrimidin-2-one
SMILESCNCCCCn1c(C)cc(C)nc1=O
InChIInChI=1S/C11H19N3O/c1-9-8-10(2)14(11(15)13-9)7-5-4-6-12-3/h8,12H,4-7H2,1-3H3
InChIKeyVQNXDAZWPJCOPF-UHFFFAOYSA-N
XLogP0.86
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-1-[4-(methylamino)butyl]pyrimidin-2-one?
The IUPAC name of 4,6-dimethyl-1-[4-(methylamino)butyl]pyrimidin-2-one (CID 62562050) is 4,6-dimethyl-1-[4-(methylamino)butyl]pyrimidin-2-one.
What is the SMILES notation for 4,6-dimethyl-1-[4-(methylamino)butyl]pyrimidin-2-one?
The canonical SMILES for 4,6-dimethyl-1-[4-(methylamino)butyl]pyrimidin-2-one is CNCCCCn1c(C)cc(C)nc1=O.
What is the InChIKey of 4,6-dimethyl-1-[4-(methylamino)butyl]pyrimidin-2-one?
The InChIKey is VQNXDAZWPJCOPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-9-8-10(2)14(11(15)13-9)7-5-4-6-12-3/h8,12H,4-7H2,1-3H3.
What are the key properties of 4,6-dimethyl-1-[4-(methylamino)butyl]pyrimidin-2-one?
4,6-dimethyl-1-[4-(methylamino)butyl]pyrimidin-2-one has a molecular weight of 209.29 g/mol, XLogP of 0.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-1-[4-(methylamino)butyl]pyrimidin-2-one is sourced from PubChem (CID 62562050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).