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

C10H16ClN3O — CID 114582700

IUPAC5-amino-6-chloro-3-hexylpyrimidin-4-one
SMILESCCCCCCn1cnc(Cl)c(N)c1=O
InChIInChI=1S/C10H16ClN3O/c1-2-3-4-5-6-14-7-13-9(11)8(12)10(14)15/h7H,2-6,12H2,1H3
InChIKeyNCZMHDGQLDGNIV-UHFFFAOYSA-N
MW229.71 g/mol
LogP2.06
Rot. Bonds5

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

5-amino-6-chloro-3-hexylpyrimidin-4-one (PubChem CID 114582700) has the molecular formula C10H16ClN3O and a molecular weight of 229.71 g/mol. Its IUPAC name is 5-amino-6-chloro-3-hexylpyrimidin-4-one.

Molecular Properties

Compound Name5-amino-6-chloro-3-hexylpyrimidin-4-one
PubChem CID114582700
Molecular FormulaC10H16ClN3O
Molecular Weight229.71 g/mol
Exact Mass229.10
IUPAC Name5-amino-6-chloro-3-hexylpyrimidin-4-one
SMILESCCCCCCn1cnc(Cl)c(N)c1=O
InChIInChI=1S/C10H16ClN3O/c1-2-3-4-5-6-14-7-13-9(11)8(12)10(14)15/h7H,2-6,12H2,1H3
InChIKeyNCZMHDGQLDGNIV-UHFFFAOYSA-N
XLogP2.06
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.71
LogP ≤ 52.06
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-hexylpyrimidin-4-one?
The IUPAC name of 5-amino-6-chloro-3-hexylpyrimidin-4-one (CID 114582700) is 5-amino-6-chloro-3-hexylpyrimidin-4-one.
What is the SMILES notation for 5-amino-6-chloro-3-hexylpyrimidin-4-one?
The canonical SMILES for 5-amino-6-chloro-3-hexylpyrimidin-4-one is CCCCCCn1cnc(Cl)c(N)c1=O.
What is the InChIKey of 5-amino-6-chloro-3-hexylpyrimidin-4-one?
The InChIKey is NCZMHDGQLDGNIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN3O/c1-2-3-4-5-6-14-7-13-9(11)8(12)10(14)15/h7H,2-6,12H2,1H3.
What are the key properties of 5-amino-6-chloro-3-hexylpyrimidin-4-one?
5-amino-6-chloro-3-hexylpyrimidin-4-one has a molecular weight of 229.71 g/mol, XLogP of 2.06, 5 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-hexylpyrimidin-4-one is sourced from PubChem (CID 114582700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).