6-methyl-3-[3-(methylamino)propyl]pyrimidin-4-one

C9H15N3O — CID 61387816

IUPAC6-methyl-3-[3-(methylamino)propyl]pyrimidin-4-one
SMILESCNCCCn1cnc(C)cc1=O
InChIInChI=1S/C9H15N3O/c1-8-6-9(13)12(7-11-8)5-3-4-10-2/h6-7,10H,3-5H2,1-2H3
InChIKeyGRKJICKCAAPODY-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.16
Rot. Bonds4

About 6-methyl-3-[3-(methylamino)propyl]pyrimidin-4-one

6-methyl-3-[3-(methylamino)propyl]pyrimidin-4-one (PubChem CID 61387816) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 6-methyl-3-[3-(methylamino)propyl]pyrimidin-4-one.

Molecular Properties

Compound Name6-methyl-3-[3-(methylamino)propyl]pyrimidin-4-one
PubChem CID61387816
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name6-methyl-3-[3-(methylamino)propyl]pyrimidin-4-one
SMILESCNCCCn1cnc(C)cc1=O
InChIInChI=1S/C9H15N3O/c1-8-6-9(13)12(7-11-8)5-3-4-10-2/h6-7,10H,3-5H2,1-2H3
InChIKeyGRKJICKCAAPODY-UHFFFAOYSA-N
XLogP0.16
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.16
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 6-methyl-3-[3-(methylamino)propyl]pyrimidin-4-one?
The IUPAC name of 6-methyl-3-[3-(methylamino)propyl]pyrimidin-4-one (CID 61387816) is 6-methyl-3-[3-(methylamino)propyl]pyrimidin-4-one.
What is the SMILES notation for 6-methyl-3-[3-(methylamino)propyl]pyrimidin-4-one?
The canonical SMILES for 6-methyl-3-[3-(methylamino)propyl]pyrimidin-4-one is CNCCCn1cnc(C)cc1=O.
What is the InChIKey of 6-methyl-3-[3-(methylamino)propyl]pyrimidin-4-one?
The InChIKey is GRKJICKCAAPODY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-8-6-9(13)12(7-11-8)5-3-4-10-2/h6-7,10H,3-5H2,1-2H3.
What are the key properties of 6-methyl-3-[3-(methylamino)propyl]pyrimidin-4-one?
6-methyl-3-[3-(methylamino)propyl]pyrimidin-4-one has a molecular weight of 181.24 g/mol, XLogP of 0.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-[3-(methylamino)propyl]pyrimidin-4-one is sourced from PubChem (CID 61387816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).