5-amino-6-chloro-3-(5-hydroxypentyl)pyrimidin-4-one

C9H14ClN3O2 — CID 114582691

IUPAC5-amino-6-chloro-3-(5-hydroxypentyl)pyrimidin-4-one
SMILESNc1c(Cl)ncn(CCCCCO)c1=O
InChIInChI=1S/C9H14ClN3O2/c10-8-7(11)9(15)13(6-12-8)4-2-1-3-5-14/h6,14H,1-5,11H2
InChIKeyARUJHRMOAMNUEI-UHFFFAOYSA-N
MW231.68 g/mol
LogP0.64
Rot. Bonds5

About 5-amino-6-chloro-3-(5-hydroxypentyl)pyrimidin-4-one

5-amino-6-chloro-3-(5-hydroxypentyl)pyrimidin-4-one (PubChem CID 114582691) has the molecular formula C9H14ClN3O2 and a molecular weight of 231.68 g/mol. Its IUPAC name is 5-amino-6-chloro-3-(5-hydroxypentyl)pyrimidin-4-one.

Molecular Properties

Compound Name5-amino-6-chloro-3-(5-hydroxypentyl)pyrimidin-4-one
PubChem CID114582691
Molecular FormulaC9H14ClN3O2
Molecular Weight231.68 g/mol
Exact Mass231.08
IUPAC Name5-amino-6-chloro-3-(5-hydroxypentyl)pyrimidin-4-one
SMILESNc1c(Cl)ncn(CCCCCO)c1=O
InChIInChI=1S/C9H14ClN3O2/c10-8-7(11)9(15)13(6-12-8)4-2-1-3-5-14/h6,14H,1-5,11H2
InChIKeyARUJHRMOAMNUEI-UHFFFAOYSA-N
XLogP0.64
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.68
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-Amino-6-chloro-3-(6-hydroxyhexyl)pyrimidin-4-one
CID 107706074
6-Chloro-3-(5-hydroxypentyl)pyrimidin-4-one
CID 114582253
5-Amino-6-chloro-3-(3-hydroxypropyl)pyrimidin-4-one
CID 114582491
5-Amino-6-chloro-3-(3-hydroxybutyl)pyrimidin-4-one
CID 114582622
5-Amino-6-chloro-3-(4-hydroxybutyl)pyrimidin-4-one
CID 114582652
5,6-Dichloro-3-(5-hydroxypentyl)pyrimidin-4-one
CID 114583119
6-Chloro-3-(5-hydroxypentyl)-5-iodopyrimidin-4-one
CID 114583974

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-chloro-3-(5-hydroxypentyl)pyrimidin-4-one?
The IUPAC name of 5-amino-6-chloro-3-(5-hydroxypentyl)pyrimidin-4-one (CID 114582691) is 5-amino-6-chloro-3-(5-hydroxypentyl)pyrimidin-4-one.
What is the SMILES notation for 5-amino-6-chloro-3-(5-hydroxypentyl)pyrimidin-4-one?
The canonical SMILES for 5-amino-6-chloro-3-(5-hydroxypentyl)pyrimidin-4-one is Nc1c(Cl)ncn(CCCCCO)c1=O.
What is the InChIKey of 5-amino-6-chloro-3-(5-hydroxypentyl)pyrimidin-4-one?
The InChIKey is ARUJHRMOAMNUEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClN3O2/c10-8-7(11)9(15)13(6-12-8)4-2-1-3-5-14/h6,14H,1-5,11H2.
What are the key properties of 5-amino-6-chloro-3-(5-hydroxypentyl)pyrimidin-4-one?
5-amino-6-chloro-3-(5-hydroxypentyl)pyrimidin-4-one has a molecular weight of 231.68 g/mol, XLogP of 0.64, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-chloro-3-(5-hydroxypentyl)pyrimidin-4-one is sourced from PubChem (CID 114582691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).