3-[5-(methylamino)hexyl]pyrimidin-4-one

C11H19N3O — CID 63768132

IUPAC3-[5-(methylamino)hexyl]pyrimidin-4-one
SMILESCNC(C)CCCCn1cnccc1=O
InChIInChI=1S/C11H19N3O/c1-10(12-2)5-3-4-8-14-9-13-7-6-11(14)15/h6-7,9-10,12H,3-5,8H2,1-2H3
InChIKeyJKUVVWPURCODNY-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.02
Rot. Bonds6

About 3-[5-(methylamino)hexyl]pyrimidin-4-one

3-[5-(methylamino)hexyl]pyrimidin-4-one (PubChem CID 63768132) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 3-[5-(methylamino)hexyl]pyrimidin-4-one.

Molecular Properties

Compound Name3-[5-(methylamino)hexyl]pyrimidin-4-one
PubChem CID63768132
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name3-[5-(methylamino)hexyl]pyrimidin-4-one
SMILESCNC(C)CCCCn1cnccc1=O
InChIInChI=1S/C11H19N3O/c1-10(12-2)5-3-4-8-14-9-13-7-6-11(14)15/h6-7,9-10,12H,3-5,8H2,1-2H3
InChIKeyJKUVVWPURCODNY-UHFFFAOYSA-N
XLogP1.02
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.02
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 3-[5-(methylamino)hexyl]pyrimidin-4-one?
The IUPAC name of 3-[5-(methylamino)hexyl]pyrimidin-4-one (CID 63768132) is 3-[5-(methylamino)hexyl]pyrimidin-4-one.
What is the SMILES notation for 3-[5-(methylamino)hexyl]pyrimidin-4-one?
The canonical SMILES for 3-[5-(methylamino)hexyl]pyrimidin-4-one is CNC(C)CCCCn1cnccc1=O.
What is the InChIKey of 3-[5-(methylamino)hexyl]pyrimidin-4-one?
The InChIKey is JKUVVWPURCODNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-10(12-2)5-3-4-8-14-9-13-7-6-11(14)15/h6-7,9-10,12H,3-5,8H2,1-2H3.
What are the key properties of 3-[5-(methylamino)hexyl]pyrimidin-4-one?
3-[5-(methylamino)hexyl]pyrimidin-4-one has a molecular weight of 209.29 g/mol, XLogP of 1.02, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(methylamino)hexyl]pyrimidin-4-one is sourced from PubChem (CID 63768132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).