4-(azocan-1-yl)-2-ethyl-1H-pyrimidin-6-one

C13H21N3O — CID 137009056

IUPAC4-(azocan-1-yl)-2-ethyl-1H-pyrimidin-6-one
SMILESCCc1nc(N2CCCCCCC2)cc(=O)[nH]1
InChIInChI=1S/C13H21N3O/c1-2-11-14-12(10-13(17)15-11)16-8-6-4-3-5-7-9-16/h10H,2-9H2,1H3,(H,14,15,17)
InChIKeyLZTKCFLPZSAUGD-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.10
Rot. Bonds2

About 4-(azocan-1-yl)-2-ethyl-1H-pyrimidin-6-one

4-(azocan-1-yl)-2-ethyl-1H-pyrimidin-6-one (PubChem CID 137009056) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 4-(azocan-1-yl)-2-ethyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(azocan-1-yl)-2-ethyl-1H-pyrimidin-6-one
PubChem CID137009056
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name4-(azocan-1-yl)-2-ethyl-1H-pyrimidin-6-one
SMILESCCc1nc(N2CCCCCCC2)cc(=O)[nH]1
InChIInChI=1S/C13H21N3O/c1-2-11-14-12(10-13(17)15-11)16-8-6-4-3-5-7-9-16/h10H,2-9H2,1H3,(H,14,15,17)
InChIKeyLZTKCFLPZSAUGD-UHFFFAOYSA-N
XLogP2.10
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(azocan-1-yl)-2-ethyl-1H-pyrimidin-6-one with MolForge

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

Launch Full Analysis

Related Compounds

6-[(Azocan-1-YL)methyl]-2-(propan-2-YL)-3,4-dihydropyrimidin-4-one
CID 136046579
4-Hydroxy-2-methyl-6-(piperidin-1-yl)pyrimidine
CID 137000217
6-(2,3,4,5,6,7-Hexahydroazocin-8-ylamino)-1,3-dimethylpyrimidine-2,4-dione
CID 71469425
2-methyl-4-(octylamino)-1H-pyrimidin-6-one
CID 135818518
4-(dodecylamino)-2-methyl-1H-pyrimidin-6-one
CID 135818519
2-methyl-4-(octadecylamino)-1H-pyrimidin-6-one
CID 135818520
2-propyl-4-(propylamino)-1H-pyrimidin-6-one
CID 136278176
2-(3-aminopropyl)-4-(dimethylamino)-1H-pyrimidin-6-one
CID 136316813
4-(5-aminopentylamino)-2-methyl-1H-pyrimidin-6-one
CID 136689848
4-(5-aminopentylamino)-2-propan-2-yl-1H-pyrimidin-6-one
CID 136689850
4-(5-aminopentylamino)-2-ethyl-1H-pyrimidin-6-one
CID 136689851
2-ethyl-4-(2-ethylhexylamino)-1H-pyrimidin-6-one
CID 136701817

Frequently Asked Questions

What is the IUPAC name of 4-(azocan-1-yl)-2-ethyl-1H-pyrimidin-6-one?
The IUPAC name of 4-(azocan-1-yl)-2-ethyl-1H-pyrimidin-6-one (CID 137009056) is 4-(azocan-1-yl)-2-ethyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(azocan-1-yl)-2-ethyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-(azocan-1-yl)-2-ethyl-1H-pyrimidin-6-one is CCc1nc(N2CCCCCCC2)cc(=O)[nH]1.
What is the InChIKey of 4-(azocan-1-yl)-2-ethyl-1H-pyrimidin-6-one?
The InChIKey is LZTKCFLPZSAUGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-2-11-14-12(10-13(17)15-11)16-8-6-4-3-5-7-9-16/h10H,2-9H2,1H3,(H,14,15,17).
What are the key properties of 4-(azocan-1-yl)-2-ethyl-1H-pyrimidin-6-one?
4-(azocan-1-yl)-2-ethyl-1H-pyrimidin-6-one has a molecular weight of 235.33 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azocan-1-yl)-2-ethyl-1H-pyrimidin-6-one is sourced from PubChem (CID 137009056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).