4-(4-hydroxybutylamino)-1H-pyrimidin-6-one

C8H13N3O2 — CID 136772474

IUPAC4-(4-hydroxybutylamino)-1H-pyrimidin-6-one
SMILESO=c1cc(NCCCCO)nc[nH]1
InChIInChI=1S/C8H13N3O2/c12-4-2-1-3-9-7-5-8(13)11-6-10-7/h5-6,12H,1-4H2,(H2,9,10,11,13)
InChIKeyVRZGJOZQSUQSCT-UHFFFAOYSA-N
MW183.21 g/mol
LogP-0.05
Rot. Bonds5

About 4-(4-hydroxybutylamino)-1H-pyrimidin-6-one

4-(4-hydroxybutylamino)-1H-pyrimidin-6-one (PubChem CID 136772474) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is 4-(4-hydroxybutylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(4-hydroxybutylamino)-1H-pyrimidin-6-one
PubChem CID136772474
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC Name4-(4-hydroxybutylamino)-1H-pyrimidin-6-one
SMILESO=c1cc(NCCCCO)nc[nH]1
InChIInChI=1S/C8H13N3O2/c12-4-2-1-3-9-7-5-8(13)11-6-10-7/h5-6,12H,1-4H2,(H2,9,10,11,13)
InChIKeyVRZGJOZQSUQSCT-UHFFFAOYSA-N
XLogP-0.05
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 5-0.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-(4-hydroxybutylamino)-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

2-Amino-6-(4-hydroxybutylamino)pyrimidin-4-ol
CID 135474610
2-Amino-6-((3-hydroxypropyl)amino)-4-pyrimidinol
CID 135489793
2-(4-hydroxybutylamino)-4-methyl-1H-pyrimidin-6-one
CID 135451986
6-((2-Hydroxyethyl)amino)pyrimidin-4(1H)-one
CID 136271513
4-[(2,2-difluoro-3-hydroxypropyl)amino]-1H-pyrimidin-6-one
CID 136849687
4-[4-hydroxybutyl(propyl)amino]-1H-pyrimidin-6-one
CID 135412672
2-chloro-4-[4-hydroxybutyl(methyl)amino]-1H-pyrimidin-6-one
CID 135412679
2-chloro-4-[4-hydroxybutyl(propyl)amino]-1H-pyrimidin-6-one
CID 135438160
2-chloro-4-[ethyl(4-hydroxybutyl)amino]-1H-pyrimidin-6-one
CID 135449057
4-[4-hydroxybutyl(methyl)amino]-1H-pyrimidin-6-one
CID 135453817
4-[ethyl(4-hydroxybutyl)amino]-1H-pyrimidin-6-one
CID 135453823
4-[butyl(4-hydroxybutyl)amino]-2-chloro-1H-pyrimidin-6-one
CID 135453923

Frequently Asked Questions

What is the IUPAC name of 4-(4-hydroxybutylamino)-1H-pyrimidin-6-one?
The IUPAC name of 4-(4-hydroxybutylamino)-1H-pyrimidin-6-one (CID 136772474) is 4-(4-hydroxybutylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(4-hydroxybutylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 4-(4-hydroxybutylamino)-1H-pyrimidin-6-one is O=c1cc(NCCCCO)nc[nH]1.
What is the InChIKey of 4-(4-hydroxybutylamino)-1H-pyrimidin-6-one?
The InChIKey is VRZGJOZQSUQSCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2/c12-4-2-1-3-9-7-5-8(13)11-6-10-7/h5-6,12H,1-4H2,(H2,9,10,11,13).
What are the key properties of 4-(4-hydroxybutylamino)-1H-pyrimidin-6-one?
4-(4-hydroxybutylamino)-1H-pyrimidin-6-one has a molecular weight of 183.21 g/mol, XLogP of -0.05, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydroxybutylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 136772474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).