7-amino-1-hexylimidazo[1,2-a]pyrimidin-5-one

C12H18N4O — CID 10376739

IUPAC7-amino-1-hexylimidazo[1,2-a]pyrimidin-5-one
SMILESCCCCCCn1ccn2c(=O)cc(N)nc12
InChIInChI=1S/C12H18N4O/c1-2-3-4-5-6-15-7-8-16-11(17)9-10(13)14-12(15)16/h7-9H,2-6,13H2,1H3
InChIKeyRIVLVKKWIIOBKE-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.66
Rot. Bonds5

About 7-amino-1-hexylimidazo[1,2-a]pyrimidin-5-one

7-amino-1-hexylimidazo[1,2-a]pyrimidin-5-one (PubChem CID 10376739) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is 7-amino-1-hexylimidazo[1,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-amino-1-hexylimidazo[1,2-a]pyrimidin-5-one
PubChem CID10376739
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC Name7-amino-1-hexylimidazo[1,2-a]pyrimidin-5-one
SMILESCCCCCCn1ccn2c(=O)cc(N)nc12
InChIInChI=1S/C12H18N4O/c1-2-3-4-5-6-15-7-8-16-11(17)9-10(13)14-12(15)16/h7-9H,2-6,13H2,1H3
InChIKeyRIVLVKKWIIOBKE-UHFFFAOYSA-N
XLogP1.66
TPSA65.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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CID 10399364
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2-Amino-6-(azepan-1-yl)-3-methylpyrimidin-4-one
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Frequently Asked Questions

What is the IUPAC name of 7-amino-1-hexylimidazo[1,2-a]pyrimidin-5-one?
The IUPAC name of 7-amino-1-hexylimidazo[1,2-a]pyrimidin-5-one (CID 10376739) is 7-amino-1-hexylimidazo[1,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-amino-1-hexylimidazo[1,2-a]pyrimidin-5-one?
The canonical SMILES for 7-amino-1-hexylimidazo[1,2-a]pyrimidin-5-one is CCCCCCn1ccn2c(=O)cc(N)nc12.
What is the InChIKey of 7-amino-1-hexylimidazo[1,2-a]pyrimidin-5-one?
The InChIKey is RIVLVKKWIIOBKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c1-2-3-4-5-6-15-7-8-16-11(17)9-10(13)14-12(15)16/h7-9H,2-6,13H2,1H3.
What are the key properties of 7-amino-1-hexylimidazo[1,2-a]pyrimidin-5-one?
7-amino-1-hexylimidazo[1,2-a]pyrimidin-5-one has a molecular weight of 234.30 g/mol, XLogP of 1.66, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-1-hexylimidazo[1,2-a]pyrimidin-5-one is sourced from PubChem (CID 10376739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).