4-amino-2-(oxan-2-ylmethyl)-5-propyl-1H-pyrimidin-6-one

C13H21N3O2 — CID 136730166

IUPAC4-amino-2-(oxan-2-ylmethyl)-5-propyl-1H-pyrimidin-6-one
SMILESCCCc1c(N)nc(CC2CCCCO2)[nH]c1=O
InChIInChI=1S/C13H21N3O2/c1-2-5-10-12(14)15-11(16-13(10)17)8-9-6-3-4-7-18-9/h9H,2-8H2,1H3,(H3,14,15,16,17)
InChIKeyHIEURMGLWQVKEG-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.42
Rot. Bonds4

About 4-amino-2-(oxan-2-ylmethyl)-5-propyl-1H-pyrimidin-6-one

4-amino-2-(oxan-2-ylmethyl)-5-propyl-1H-pyrimidin-6-one (PubChem CID 136730166) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 4-amino-2-(oxan-2-ylmethyl)-5-propyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-amino-2-(oxan-2-ylmethyl)-5-propyl-1H-pyrimidin-6-one
PubChem CID136730166
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name4-amino-2-(oxan-2-ylmethyl)-5-propyl-1H-pyrimidin-6-one
SMILESCCCc1c(N)nc(CC2CCCCO2)[nH]c1=O
InChIInChI=1S/C13H21N3O2/c1-2-5-10-12(14)15-11(16-13(10)17)8-9-6-3-4-7-18-9/h9H,2-8H2,1H3,(H3,14,15,16,17)
InChIKeyHIEURMGLWQVKEG-UHFFFAOYSA-N
XLogP1.42
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-amino-2-(oxan-2-ylmethyl)-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

Related Compounds

6-methyl-2-propyl-5-(tetrahydro-2H-pyran-2-ylmethyl)pyrimidin-4(3H)-one
CID 136026735
5-(oxan-2-ylmethyl)-2-propyl-1H-pyrimidin-6-one
CID 141208975
4-hydroxy-2-(oxolan-2-ylmethyl)-5-propyl-1H-pyrimidin-6-one
CID 63611434
5-ethyl-4-hydroxy-2-(oxolan-2-ylmethyl)-1H-pyrimidin-6-one
CID 63613615
4-hydroxy-5-methyl-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one
CID 104249127
5-ethyl-4-hydroxy-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one
CID 104249129
4-hydroxy-2-(oxan-2-ylmethyl)-5-propyl-1H-pyrimidin-6-one
CID 104249131
5-cyclopentyl-4-hydroxy-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one
CID 104249194
4-hydroxy-2-(oxan-2-ylmethyl)-5-propan-2-yl-1H-pyrimidin-6-one
CID 113391198
4-amino-2-(oxolan-2-ylmethyl)-5-propan-2-yl-1H-pyrimidin-6-one
CID 136077483
4-amino-2-(2-methoxyethyl)-5-propyl-1H-pyrimidin-6-one
CID 136077668
4-amino-5-ethyl-2-(oxolan-2-ylmethyl)-1H-pyrimidin-6-one
CID 136077762

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(oxan-2-ylmethyl)-5-propyl-1H-pyrimidin-6-one?
The IUPAC name of 4-amino-2-(oxan-2-ylmethyl)-5-propyl-1H-pyrimidin-6-one (CID 136730166) is 4-amino-2-(oxan-2-ylmethyl)-5-propyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-amino-2-(oxan-2-ylmethyl)-5-propyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-amino-2-(oxan-2-ylmethyl)-5-propyl-1H-pyrimidin-6-one is CCCc1c(N)nc(CC2CCCCO2)[nH]c1=O.
What is the InChIKey of 4-amino-2-(oxan-2-ylmethyl)-5-propyl-1H-pyrimidin-6-one?
The InChIKey is HIEURMGLWQVKEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-2-5-10-12(14)15-11(16-13(10)17)8-9-6-3-4-7-18-9/h9H,2-8H2,1H3,(H3,14,15,16,17).
What are the key properties of 4-amino-2-(oxan-2-ylmethyl)-5-propyl-1H-pyrimidin-6-one?
4-amino-2-(oxan-2-ylmethyl)-5-propyl-1H-pyrimidin-6-one has a molecular weight of 251.33 g/mol, XLogP of 1.42, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(oxan-2-ylmethyl)-5-propyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136730166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).