2-(2-aminobutyl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one

C11H19N3O2 — CID 63555361

IUPAC2-(2-aminobutyl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one
SMILESCCCc1c(O)nc(CC(N)CC)[nH]c1=O
InChIInChI=1S/C11H19N3O2/c1-3-5-8-10(15)13-9(14-11(8)16)6-7(12)4-2/h7H,3-6,12H2,1-2H3,(H2,13,14,15,16)
InChIKeyFWVBXUTZTVRVTA-UHFFFAOYSA-N
MW225.29 g/mol
LogP0.71
Rot. Bonds5

About 2-(2-aminobutyl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one

2-(2-aminobutyl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one (PubChem CID 63555361) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 2-(2-aminobutyl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(2-aminobutyl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one
PubChem CID63555361
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name2-(2-aminobutyl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one
SMILESCCCc1c(O)nc(CC(N)CC)[nH]c1=O
InChIInChI=1S/C11H19N3O2/c1-3-5-8-10(15)13-9(14-11(8)16)6-7(12)4-2/h7H,3-6,12H2,1-2H3,(H2,13,14,15,16)
InChIKeyFWVBXUTZTVRVTA-UHFFFAOYSA-N
XLogP0.71
TPSA92.00 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 50.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-(2-aminobutyl)-4-hydroxy-5-propyl-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

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminobutyl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(2-aminobutyl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one (CID 63555361) is 2-(2-aminobutyl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(2-aminobutyl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(2-aminobutyl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one is CCCc1c(O)nc(CC(N)CC)[nH]c1=O.
What is the InChIKey of 2-(2-aminobutyl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one?
The InChIKey is FWVBXUTZTVRVTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-3-5-8-10(15)13-9(14-11(8)16)6-7(12)4-2/h7H,3-6,12H2,1-2H3,(H2,13,14,15,16).
What are the key properties of 2-(2-aminobutyl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one?
2-(2-aminobutyl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one has a molecular weight of 225.29 g/mol, XLogP of 0.71, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminobutyl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one is sourced from PubChem (CID 63555361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).