4-(3-hydroxypropylamino)-1H-pyrimidin-6-one

C7H11N3O2 — CID 136956030

IUPAC4-(3-hydroxypropylamino)-1H-pyrimidin-6-one
SMILESO=c1cc(NCCCO)nc[nH]1
InChIInChI=1S/C7H11N3O2/c11-3-1-2-8-6-4-7(12)10-5-9-6/h4-5,11H,1-3H2,(H2,8,9,10,12)
InChIKeyLLYSQZKTKJSEAE-UHFFFAOYSA-N
MW169.18 g/mol
LogP-0.44
Rot. Bonds4

About 4-(3-hydroxypropylamino)-1H-pyrimidin-6-one

4-(3-hydroxypropylamino)-1H-pyrimidin-6-one (PubChem CID 136956030) has the molecular formula C7H11N3O2 and a molecular weight of 169.18 g/mol. Its IUPAC name is 4-(3-hydroxypropylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(3-hydroxypropylamino)-1H-pyrimidin-6-one
PubChem CID136956030
Molecular FormulaC7H11N3O2
Molecular Weight169.18 g/mol
Exact Mass169.09
IUPAC Name4-(3-hydroxypropylamino)-1H-pyrimidin-6-one
SMILESO=c1cc(NCCCO)nc[nH]1
InChIInChI=1S/C7H11N3O2/c11-3-1-2-8-6-4-7(12)10-5-9-6/h4-5,11H,1-3H2,(H2,8,9,10,12)
InChIKeyLLYSQZKTKJSEAE-UHFFFAOYSA-N
XLogP-0.44
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 5-0.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-Amino-6-(4-hydroxybutylamino)pyrimidin-4-ol
CID 135474610
2-Amino-6-((3-hydroxy-2,2-dimethylpropyl)amino)-4-pyrimidinol
CID 135406826
2-Amino-6-((3-hydroxypropyl)amino)-4-pyrimidinol
CID 135489793
6-((2-Hydroxyethyl)amino)pyrimidin-4(1H)-one
CID 136271513
4-[(2,2-difluoro-3-hydroxypropyl)amino]-1H-pyrimidin-6-one
CID 136849687
2-Amino-1-(3-hydroxypropyl)pyrimidin-4-one
CID 163296269
2-(3-hydroxypropylamino)-1H-pyrimidin-6-one
CID 2069398
2-Amino-6-[(2-hydroxyethyl)amino]pyrimidin-4(1h)-one
CID 135408652
4-[4-hydroxybutyl(propyl)amino]-1H-pyrimidin-6-one
CID 135412672
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]-1H-pyrimidin-6-one
CID 135492319

Frequently Asked Questions

What is the IUPAC name of 4-(3-hydroxypropylamino)-1H-pyrimidin-6-one?
The IUPAC name of 4-(3-hydroxypropylamino)-1H-pyrimidin-6-one (CID 136956030) is 4-(3-hydroxypropylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(3-hydroxypropylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 4-(3-hydroxypropylamino)-1H-pyrimidin-6-one is O=c1cc(NCCCO)nc[nH]1.
What is the InChIKey of 4-(3-hydroxypropylamino)-1H-pyrimidin-6-one?
The InChIKey is LLYSQZKTKJSEAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2/c11-3-1-2-8-6-4-7(12)10-5-9-6/h4-5,11H,1-3H2,(H2,8,9,10,12).
What are the key properties of 4-(3-hydroxypropylamino)-1H-pyrimidin-6-one?
4-(3-hydroxypropylamino)-1H-pyrimidin-6-one has a molecular weight of 169.18 g/mol, XLogP of -0.44, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-hydroxypropylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 136956030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).