2,6-dimethyl-3-[2-(propylamino)propyl]pyrimidin-4-one

C12H21N3O — CID 55227672

IUPAC2,6-dimethyl-3-[2-(propylamino)propyl]pyrimidin-4-one
SMILESCCCNC(C)Cn1c(C)nc(C)cc1=O
InChIInChI=1S/C12H21N3O/c1-5-6-13-10(3)8-15-11(4)14-9(2)7-12(15)16/h7,10,13H,5-6,8H2,1-4H3
InChIKeyWLEAADYENMWLCT-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.25
Rot. Bonds5

About 2,6-dimethyl-3-[2-(propylamino)propyl]pyrimidin-4-one

2,6-dimethyl-3-[2-(propylamino)propyl]pyrimidin-4-one (PubChem CID 55227672) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 2,6-dimethyl-3-[2-(propylamino)propyl]pyrimidin-4-one.

Molecular Properties

Compound Name2,6-dimethyl-3-[2-(propylamino)propyl]pyrimidin-4-one
PubChem CID55227672
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name2,6-dimethyl-3-[2-(propylamino)propyl]pyrimidin-4-one
SMILESCCCNC(C)Cn1c(C)nc(C)cc1=O
InChIInChI=1S/C12H21N3O/c1-5-6-13-10(3)8-15-11(4)14-9(2)7-12(15)16/h7,10,13H,5-6,8H2,1-4H3
InChIKeyWLEAADYENMWLCT-UHFFFAOYSA-N
XLogP1.25
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-3-[2-(propylamino)propyl]pyrimidin-4-one?
The IUPAC name of 2,6-dimethyl-3-[2-(propylamino)propyl]pyrimidin-4-one (CID 55227672) is 2,6-dimethyl-3-[2-(propylamino)propyl]pyrimidin-4-one.
What is the SMILES notation for 2,6-dimethyl-3-[2-(propylamino)propyl]pyrimidin-4-one?
The canonical SMILES for 2,6-dimethyl-3-[2-(propylamino)propyl]pyrimidin-4-one is CCCNC(C)Cn1c(C)nc(C)cc1=O.
What is the InChIKey of 2,6-dimethyl-3-[2-(propylamino)propyl]pyrimidin-4-one?
The InChIKey is WLEAADYENMWLCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-5-6-13-10(3)8-15-11(4)14-9(2)7-12(15)16/h7,10,13H,5-6,8H2,1-4H3.
What are the key properties of 2,6-dimethyl-3-[2-(propylamino)propyl]pyrimidin-4-one?
2,6-dimethyl-3-[2-(propylamino)propyl]pyrimidin-4-one has a molecular weight of 223.32 g/mol, XLogP of 1.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-3-[2-(propylamino)propyl]pyrimidin-4-one is sourced from PubChem (CID 55227672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).