4-amino-1-hexylpyrimidin-2-one

C10H17N3O — CID 68973119

IUPAC4-amino-1-hexylpyrimidin-2-one
SMILESCCCCCCn1ccc(N)nc1=O
InChIInChI=1S/C10H17N3O/c1-2-3-4-5-7-13-8-6-9(11)12-10(13)14/h6,8H,2-5,7H2,1H3,(H2,11,12,14)
InChIKeyCLQJIQYAEDEGOV-UHFFFAOYSA-N
MW195.27 g/mol
LogP1.41
Rot. Bonds5

About 4-amino-1-hexylpyrimidin-2-one

4-amino-1-hexylpyrimidin-2-one (PubChem CID 68973119) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 4-amino-1-hexylpyrimidin-2-one.

Molecular Properties

Compound Name4-amino-1-hexylpyrimidin-2-one
PubChem CID68973119
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name4-amino-1-hexylpyrimidin-2-one
SMILESCCCCCCn1ccc(N)nc1=O
InChIInChI=1S/C10H17N3O/c1-2-3-4-5-7-13-8-6-9(11)12-10(13)14/h6,8H,2-5,7H2,1H3,(H2,11,12,14)
InChIKeyCLQJIQYAEDEGOV-UHFFFAOYSA-N
XLogP1.41
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 51.41
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 4-amino-1-hexylpyrimidin-2-one?
The IUPAC name of 4-amino-1-hexylpyrimidin-2-one (CID 68973119) is 4-amino-1-hexylpyrimidin-2-one.
What is the SMILES notation for 4-amino-1-hexylpyrimidin-2-one?
The canonical SMILES for 4-amino-1-hexylpyrimidin-2-one is CCCCCCn1ccc(N)nc1=O.
What is the InChIKey of 4-amino-1-hexylpyrimidin-2-one?
The InChIKey is CLQJIQYAEDEGOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-2-3-4-5-7-13-8-6-9(11)12-10(13)14/h6,8H,2-5,7H2,1H3,(H2,11,12,14).
What are the key properties of 4-amino-1-hexylpyrimidin-2-one?
4-amino-1-hexylpyrimidin-2-one has a molecular weight of 195.27 g/mol, XLogP of 1.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-hexylpyrimidin-2-one is sourced from PubChem (CID 68973119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).