1-(4-hydroxybutyl)pyrimidin-2-one

C8H12N2O2 — CID 43509830

IUPAC1-(4-hydroxybutyl)pyrimidin-2-one
SMILESO=c1ncccn1CCCCO
InChIInChI=1S/C8H12N2O2/c11-7-2-1-5-10-6-3-4-9-8(10)12/h3-4,6,11H,1-2,5,7H2
InChIKeyNJWXNPLVBDMSCU-UHFFFAOYSA-N
MW168.20 g/mol
LogP0.02
Rot. Bonds4

About 1-(4-hydroxybutyl)pyrimidin-2-one

1-(4-hydroxybutyl)pyrimidin-2-one (PubChem CID 43509830) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is 1-(4-hydroxybutyl)pyrimidin-2-one.

Molecular Properties

Compound Name1-(4-hydroxybutyl)pyrimidin-2-one
PubChem CID43509830
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Name1-(4-hydroxybutyl)pyrimidin-2-one
SMILESO=c1ncccn1CCCCO
InChIInChI=1S/C8H12N2O2/c11-7-2-1-5-10-6-3-4-9-8(10)12/h3-4,6,11H,1-2,5,7H2
InChIKeyNJWXNPLVBDMSCU-UHFFFAOYSA-N
XLogP0.02
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2-Hydroxyethyl)-2-pyrimidinone
CID 43509828
1-(3-Hydroxypropyl)-2-oxopyrimidine
CID 43509829
1-(6-Hydroxyhexyl)pyrimidin-2-one
CID 107704990
1-[(3R)-2,3,4-trihydroxybutyl]pyrimidin-2-one
CID 126759806
1-(2-Hydroxybutyl)pyrimidin-2-one
CID 60878764
1-(3-Hydroxybutyl)pyrimidin-2-one
CID 61765693
1-(4-Hydroxypentyl)pyrimidin-2-one
CID 61943387
1-(2-Hydroxypentyl)pyrimidin-2-one
CID 62042362
1-(5-Hydroxypentyl)pyrimidin-2-one
CID 62228807
1-(4-Hydroxybutyl)-5-methylpyrimidin-2-one
CID 63206454
5-Chloro-1-(4-hydroxybutyl)pyrimidin-2-one
CID 81675692
1-(4-Hydroxyhexyl)pyrimidin-2-one
CID 106802512

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxybutyl)pyrimidin-2-one?
The IUPAC name of 1-(4-hydroxybutyl)pyrimidin-2-one (CID 43509830) is 1-(4-hydroxybutyl)pyrimidin-2-one.
What is the SMILES notation for 1-(4-hydroxybutyl)pyrimidin-2-one?
The canonical SMILES for 1-(4-hydroxybutyl)pyrimidin-2-one is O=c1ncccn1CCCCO.
What is the InChIKey of 1-(4-hydroxybutyl)pyrimidin-2-one?
The InChIKey is NJWXNPLVBDMSCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2/c11-7-2-1-5-10-6-3-4-9-8(10)12/h3-4,6,11H,1-2,5,7H2.
What are the key properties of 1-(4-hydroxybutyl)pyrimidin-2-one?
1-(4-hydroxybutyl)pyrimidin-2-one has a molecular weight of 168.20 g/mol, XLogP of 0.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxybutyl)pyrimidin-2-one is sourced from PubChem (CID 43509830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).