5-amino-6-chloro-3-nonylpyrimidin-4-one

C13H22ClN3O — CID 114582876

IUPAC5-amino-6-chloro-3-nonylpyrimidin-4-one
SMILESCCCCCCCCCn1cnc(Cl)c(N)c1=O
InChIInChI=1S/C13H22ClN3O/c1-2-3-4-5-6-7-8-9-17-10-16-12(14)11(15)13(17)18/h10H,2-9,15H2,1H3
InChIKeyLMIOXXMHRRMUQF-UHFFFAOYSA-N
MW271.79 g/mol
LogP3.23
Rot. Bonds8

About 5-amino-6-chloro-3-nonylpyrimidin-4-one

5-amino-6-chloro-3-nonylpyrimidin-4-one (PubChem CID 114582876) has the molecular formula C13H22ClN3O and a molecular weight of 271.79 g/mol. Its IUPAC name is 5-amino-6-chloro-3-nonylpyrimidin-4-one.

Molecular Properties

Compound Name5-amino-6-chloro-3-nonylpyrimidin-4-one
PubChem CID114582876
Molecular FormulaC13H22ClN3O
Molecular Weight271.79 g/mol
Exact Mass271.15
IUPAC Name5-amino-6-chloro-3-nonylpyrimidin-4-one
SMILESCCCCCCCCCn1cnc(Cl)c(N)c1=O
InChIInChI=1S/C13H22ClN3O/c1-2-3-4-5-6-7-8-9-17-10-16-12(14)11(15)13(17)18/h10H,2-9,15H2,1H3
InChIKeyLMIOXXMHRRMUQF-UHFFFAOYSA-N
XLogP3.23
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.79
LogP ≤ 53.23
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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Frequently Asked Questions

What is the IUPAC name of 5-amino-6-chloro-3-nonylpyrimidin-4-one?
The IUPAC name of 5-amino-6-chloro-3-nonylpyrimidin-4-one (CID 114582876) is 5-amino-6-chloro-3-nonylpyrimidin-4-one.
What is the SMILES notation for 5-amino-6-chloro-3-nonylpyrimidin-4-one?
The canonical SMILES for 5-amino-6-chloro-3-nonylpyrimidin-4-one is CCCCCCCCCn1cnc(Cl)c(N)c1=O.
What is the InChIKey of 5-amino-6-chloro-3-nonylpyrimidin-4-one?
The InChIKey is LMIOXXMHRRMUQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22ClN3O/c1-2-3-4-5-6-7-8-9-17-10-16-12(14)11(15)13(17)18/h10H,2-9,15H2,1H3.
What are the key properties of 5-amino-6-chloro-3-nonylpyrimidin-4-one?
5-amino-6-chloro-3-nonylpyrimidin-4-one has a molecular weight of 271.79 g/mol, XLogP of 3.23, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-chloro-3-nonylpyrimidin-4-one is sourced from PubChem (CID 114582876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).