2-(butylamino)-4-hydroxy-1H-pyrimidin-6-one

C8H13N3O2 — CID 101484051

IUPAC2-(butylamino)-4-hydroxy-1H-pyrimidin-6-one
SMILESCCCCNc1nc(O)cc(=O)[nH]1
InChIInChI=1S/C8H13N3O2/c1-2-3-4-9-8-10-6(12)5-7(13)11-8/h5H,2-4H2,1H3,(H3,9,10,11,12,13)
InChIKeyLAORJJGPTFADHE-UHFFFAOYSA-N
MW183.21 g/mol
LogP0.69
Rot. Bonds4

About 2-(butylamino)-4-hydroxy-1H-pyrimidin-6-one

2-(butylamino)-4-hydroxy-1H-pyrimidin-6-one (PubChem CID 101484051) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is 2-(butylamino)-4-hydroxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(butylamino)-4-hydroxy-1H-pyrimidin-6-one
PubChem CID101484051
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC Name2-(butylamino)-4-hydroxy-1H-pyrimidin-6-one
SMILESCCCCNc1nc(O)cc(=O)[nH]1
InChIInChI=1S/C8H13N3O2/c1-2-3-4-9-8-10-6(12)5-7(13)11-8/h5H,2-4H2,1H3,(H3,9,10,11,12,13)
InChIKeyLAORJJGPTFADHE-UHFFFAOYSA-N
XLogP0.69
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 50.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(butylamino)-4-hydroxy-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

4-hydroxy-2-(octylamino)-1H-pyrimidin-6-one
CID 127044299
2-(Dimethylamino)-4,6-pyrimidinediol
CID 320025
2-(butylamino)-1H-pyrimidin-6-one
CID 2069400
4-fluoro-2-(propylamino)-1H-pyrimidin-6-one
CID 166556696
2-Amino-6-(propylamino)pyrimidin-4(1h)-one
CID 135408601
2-Amino-6-(butylamino)pyrimidin-4(3H)-one
CID 135408602
2-Butylamino-3-methylpyrimidin-4-one
CID 21602095
CID 5773240
CID 5773240
2-(Methylamino)-4,6-pyrimidinediol
CID 816954
2-(propylamino)-1H-pyrimidin-6-one
CID 2069399
2-(pentylamino)-1H-pyrimidin-6-one
CID 2069401
2-(ethylamino)-4-hydroxy-1H-pyrimidin-6-one
CID 13051402

Frequently Asked Questions

What is the IUPAC name of 2-(butylamino)-4-hydroxy-1H-pyrimidin-6-one?
The IUPAC name of 2-(butylamino)-4-hydroxy-1H-pyrimidin-6-one (CID 101484051) is 2-(butylamino)-4-hydroxy-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(butylamino)-4-hydroxy-1H-pyrimidin-6-one?
The canonical SMILES for 2-(butylamino)-4-hydroxy-1H-pyrimidin-6-one is CCCCNc1nc(O)cc(=O)[nH]1.
What is the InChIKey of 2-(butylamino)-4-hydroxy-1H-pyrimidin-6-one?
The InChIKey is LAORJJGPTFADHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2/c1-2-3-4-9-8-10-6(12)5-7(13)11-8/h5H,2-4H2,1H3,(H3,9,10,11,12,13).
What are the key properties of 2-(butylamino)-4-hydroxy-1H-pyrimidin-6-one?
2-(butylamino)-4-hydroxy-1H-pyrimidin-6-one has a molecular weight of 183.21 g/mol, XLogP of 0.69, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butylamino)-4-hydroxy-1H-pyrimidin-6-one is sourced from PubChem (CID 101484051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).