1-[2-(ethylamino)pentyl]-4,6-dimethylpyrimidin-2-one

C13H23N3O — CID 62043836

IUPAC1-[2-(ethylamino)pentyl]-4,6-dimethylpyrimidin-2-one
SMILESCCCC(Cn1c(C)cc(C)nc1=O)NCC
InChIInChI=1S/C13H23N3O/c1-5-7-12(14-6-2)9-16-11(4)8-10(3)15-13(16)17/h8,12,14H,5-7,9H2,1-4H3
InChIKeyZIJYXHXZJQJWRO-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.64
Rot. Bonds6

About 1-[2-(ethylamino)pentyl]-4,6-dimethylpyrimidin-2-one

1-[2-(ethylamino)pentyl]-4,6-dimethylpyrimidin-2-one (PubChem CID 62043836) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 1-[2-(ethylamino)pentyl]-4,6-dimethylpyrimidin-2-one.

Molecular Properties

Compound Name1-[2-(ethylamino)pentyl]-4,6-dimethylpyrimidin-2-one
PubChem CID62043836
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name1-[2-(ethylamino)pentyl]-4,6-dimethylpyrimidin-2-one
SMILESCCCC(Cn1c(C)cc(C)nc1=O)NCC
InChIInChI=1S/C13H23N3O/c1-5-7-12(14-6-2)9-16-11(4)8-10(3)15-13(16)17/h8,12,14H,5-7,9H2,1-4H3
InChIKeyZIJYXHXZJQJWRO-UHFFFAOYSA-N
XLogP1.64
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[2-(ethylamino)pentyl]-4,6-dimethylpyrimidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-(ethylamino)pentyl]-4,6-dimethylpyrimidin-2-one?
The IUPAC name of 1-[2-(ethylamino)pentyl]-4,6-dimethylpyrimidin-2-one (CID 62043836) is 1-[2-(ethylamino)pentyl]-4,6-dimethylpyrimidin-2-one.
What is the SMILES notation for 1-[2-(ethylamino)pentyl]-4,6-dimethylpyrimidin-2-one?
The canonical SMILES for 1-[2-(ethylamino)pentyl]-4,6-dimethylpyrimidin-2-one is CCCC(Cn1c(C)cc(C)nc1=O)NCC.
What is the InChIKey of 1-[2-(ethylamino)pentyl]-4,6-dimethylpyrimidin-2-one?
The InChIKey is ZIJYXHXZJQJWRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-5-7-12(14-6-2)9-16-11(4)8-10(3)15-13(16)17/h8,12,14H,5-7,9H2,1-4H3.
What are the key properties of 1-[2-(ethylamino)pentyl]-4,6-dimethylpyrimidin-2-one?
1-[2-(ethylamino)pentyl]-4,6-dimethylpyrimidin-2-one has a molecular weight of 237.35 g/mol, XLogP of 1.64, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(ethylamino)pentyl]-4,6-dimethylpyrimidin-2-one is sourced from PubChem (CID 62043836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).