2-(2-aminopropyl)-5-propan-2-yl-1H-pyrimidin-6-one

C10H17N3O — CID 84666368

IUPAC2-(2-aminopropyl)-5-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(N)Cc1ncc(C(C)C)c(=O)[nH]1
InChIInChI=1S/C10H17N3O/c1-6(2)8-5-12-9(4-7(3)11)13-10(8)14/h5-7H,4,11H2,1-3H3,(H,12,13,14)
InChIKeyMVGDDVCJCPKQTC-UHFFFAOYSA-N
MW195.27 g/mol
LogP0.78
Rot. Bonds3

About 2-(2-aminopropyl)-5-propan-2-yl-1H-pyrimidin-6-one

2-(2-aminopropyl)-5-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 84666368) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 2-(2-aminopropyl)-5-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(2-aminopropyl)-5-propan-2-yl-1H-pyrimidin-6-one
PubChem CID84666368
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name2-(2-aminopropyl)-5-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(N)Cc1ncc(C(C)C)c(=O)[nH]1
InChIInChI=1S/C10H17N3O/c1-6(2)8-5-12-9(4-7(3)11)13-10(8)14/h5-7H,4,11H2,1-3H3,(H,12,13,14)
InChIKeyMVGDDVCJCPKQTC-UHFFFAOYSA-N
XLogP0.78
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(2-aminopropyl)-5-propan-2-yl-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

5-ethyl-2-methyl-1H-pyrimidin-6-one
CID 5015079
5-Methyl-2-propylpyrimidin-4(3H)-one
CID 15335387
2-cyclopropyl-5-propan-2-yl-1H-pyrimidin-6-one
CID 23465449
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-Methyl-2-(propan-2-yl)pyrimidin-4-ol
CID 24903844
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
5-ethyl-2-pyrrolidin-3-yl-1H-pyrimidin-6-one
CID 84664919
2,5-ditert-butyl-1H-pyrimidin-6-one
CID 89507439

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminopropyl)-5-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 2-(2-aminopropyl)-5-propan-2-yl-1H-pyrimidin-6-one (CID 84666368) is 2-(2-aminopropyl)-5-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(2-aminopropyl)-5-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(2-aminopropyl)-5-propan-2-yl-1H-pyrimidin-6-one is CC(N)Cc1ncc(C(C)C)c(=O)[nH]1.
What is the InChIKey of 2-(2-aminopropyl)-5-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is MVGDDVCJCPKQTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-6(2)8-5-12-9(4-7(3)11)13-10(8)14/h5-7H,4,11H2,1-3H3,(H,12,13,14).
What are the key properties of 2-(2-aminopropyl)-5-propan-2-yl-1H-pyrimidin-6-one?
2-(2-aminopropyl)-5-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 195.27 g/mol, XLogP of 0.78, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminopropyl)-5-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 84666368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).