2-[3-(ethylamino)propyl]-5-propyl-1H-pyrimidin-6-one

C12H21N3O — CID 144503930

IUPAC2-[3-(ethylamino)propyl]-5-propyl-1H-pyrimidin-6-one
SMILESCCCc1cnc(CCCNCC)[nH]c1=O
InChIInChI=1S/C12H21N3O/c1-3-6-10-9-14-11(15-12(10)16)7-5-8-13-4-2/h9,13H,3-8H2,1-2H3,(H,14,15,16)
InChIKeyGACDWSCDEKPQCW-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.26
Rot. Bonds7

About 2-[3-(ethylamino)propyl]-5-propyl-1H-pyrimidin-6-one

2-[3-(ethylamino)propyl]-5-propyl-1H-pyrimidin-6-one (PubChem CID 144503930) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-[3-(ethylamino)propyl]-5-propyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[3-(ethylamino)propyl]-5-propyl-1H-pyrimidin-6-one
PubChem CID144503930
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name2-[3-(ethylamino)propyl]-5-propyl-1H-pyrimidin-6-one
SMILESCCCc1cnc(CCCNCC)[nH]c1=O
InChIInChI=1S/C12H21N3O/c1-3-6-10-9-14-11(15-12(10)16)7-5-8-13-4-2/h9,13H,3-8H2,1-2H3,(H,14,15,16)
InChIKeyGACDWSCDEKPQCW-UHFFFAOYSA-N
XLogP1.26
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-Pyrimidinol, 6-amino-2-methyl-5-propyl-
CID 135854961
Methyl-5-n-propyl-4(3h)-pyrimidinone
CID 44176222
5-ethyl-2-methyl-1H-pyrimidin-6-one
CID 5015079
5-Methyl-2-propylpyrimidin-4(3H)-one
CID 15335387
2-cyclopropyl-5-propyl-1H-pyrimidin-6-one
CID 23465438
2-cyclopropyl-5-ethyl-1H-pyrimidin-6-one
CID 23465452
2-methyl-5-propan-2-yl-1H-pyrimidin-6-one
CID 24903697
2,5-di(propan-2-yl)-1H-pyrimidin-6-one
CID 24903699
5-ethyl-2-propan-2-yl-1H-pyrimidin-6-one
CID 24903855
2-tert-butyl-5-ethyl-1H-pyrimidin-6-one
CID 24903858
2,5-diethyl-1H-pyrimidin-6-one
CID 53918073
2-methyl-5-(2-methylpropyl)-1H-pyrimidin-6-one
CID 117260666

Frequently Asked Questions

What is the IUPAC name of 2-[3-(ethylamino)propyl]-5-propyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[3-(ethylamino)propyl]-5-propyl-1H-pyrimidin-6-one (CID 144503930) is 2-[3-(ethylamino)propyl]-5-propyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[3-(ethylamino)propyl]-5-propyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[3-(ethylamino)propyl]-5-propyl-1H-pyrimidin-6-one is CCCc1cnc(CCCNCC)[nH]c1=O.
What is the InChIKey of 2-[3-(ethylamino)propyl]-5-propyl-1H-pyrimidin-6-one?
The InChIKey is GACDWSCDEKPQCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-3-6-10-9-14-11(15-12(10)16)7-5-8-13-4-2/h9,13H,3-8H2,1-2H3,(H,14,15,16).
What are the key properties of 2-[3-(ethylamino)propyl]-5-propyl-1H-pyrimidin-6-one?
2-[3-(ethylamino)propyl]-5-propyl-1H-pyrimidin-6-one has a molecular weight of 223.32 g/mol, XLogP of 1.26, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(ethylamino)propyl]-5-propyl-1H-pyrimidin-6-one is sourced from PubChem (CID 144503930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).