2-(3-butoxypropylamino)-4-ethyl-1H-pyrimidin-6-one

C13H23N3O2 — CID 136779616

IUPAC2-(3-butoxypropylamino)-4-ethyl-1H-pyrimidin-6-one
SMILESCCCCOCCCNc1nc(CC)cc(=O)[nH]1
InChIInChI=1S/C13H23N3O2/c1-3-5-8-18-9-6-7-14-13-15-11(4-2)10-12(17)16-13/h10H,3-9H2,1-2H3,(H2,14,15,16,17)
InChIKeyLITWDJAVLAZXIX-UHFFFAOYSA-N
MW253.35 g/mol
LogP1.95
Rot. Bonds9

About 2-(3-butoxypropylamino)-4-ethyl-1H-pyrimidin-6-one

2-(3-butoxypropylamino)-4-ethyl-1H-pyrimidin-6-one (PubChem CID 136779616) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 2-(3-butoxypropylamino)-4-ethyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(3-butoxypropylamino)-4-ethyl-1H-pyrimidin-6-one
PubChem CID136779616
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name2-(3-butoxypropylamino)-4-ethyl-1H-pyrimidin-6-one
SMILESCCCCOCCCNc1nc(CC)cc(=O)[nH]1
InChIInChI=1S/C13H23N3O2/c1-3-5-8-18-9-6-7-14-13-15-11(4-2)10-12(17)16-13/h10H,3-9H2,1-2H3,(H2,14,15,16,17)
InChIKeyLITWDJAVLAZXIX-UHFFFAOYSA-N
XLogP1.95
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-(3-butoxypropylamino)-4-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

2-[3-(diethylamino)propylamino]-4-ethyl-1H-pyrimidin-6-one
CID 136779917
2-(butylamino)-4-propan-2-yl-1H-pyrimidin-6-one
CID 136779799
methyl 2-(butylamino)-6-oxo-1H-pyrimidine-4-carboxylate
CID 165494612
2-methyl-4-(3-propoxypropylamino)-1H-pyrimidin-6-one
CID 136957026
2-propan-2-yl-4-(3-propoxypropylamino)-1H-pyrimidin-6-one
CID 136976642
4-ethyl-2-(propoxymethyl)-1H-pyrimidin-6-one
CID 135973719
4-propan-2-yl-2-(3-propan-2-yloxypropylamino)-1H-pyrimidin-6-one
CID 136779988
2-(3-butoxypropylamino)-5,6,7,8-tetrahydro-3H-quinazolin-4-one
CID 136779618
butyl 3-[(4-ethyl-6-oxo-1H-pyrimidin-2-yl)amino]benzoate
CID 136779119
2-(2-ethoxyethyl)-4-ethyl-1H-pyrimidin-6-one
CID 136745753
2-(6-aminohexylamino)-4-(ethylsulfanylmethyl)-1H-pyrimidin-6-one
CID 136925294
2-(2,5-dimethoxyanilino)-4-ethyl-1H-pyrimidin-6-one
CID 135763942

Frequently Asked Questions

What is the IUPAC name of 2-(3-butoxypropylamino)-4-ethyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(3-butoxypropylamino)-4-ethyl-1H-pyrimidin-6-one (CID 136779616) is 2-(3-butoxypropylamino)-4-ethyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(3-butoxypropylamino)-4-ethyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(3-butoxypropylamino)-4-ethyl-1H-pyrimidin-6-one is CCCCOCCCNc1nc(CC)cc(=O)[nH]1.
What is the InChIKey of 2-(3-butoxypropylamino)-4-ethyl-1H-pyrimidin-6-one?
The InChIKey is LITWDJAVLAZXIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-3-5-8-18-9-6-7-14-13-15-11(4-2)10-12(17)16-13/h10H,3-9H2,1-2H3,(H2,14,15,16,17).
What are the key properties of 2-(3-butoxypropylamino)-4-ethyl-1H-pyrimidin-6-one?
2-(3-butoxypropylamino)-4-ethyl-1H-pyrimidin-6-one has a molecular weight of 253.35 g/mol, XLogP of 1.95, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-butoxypropylamino)-4-ethyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136779616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).