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

C12H16ClN3O — CID 10060844

IUPAC7-chloro-1-hexylimidazo[1,2-a]pyrimidin-5-one
SMILESCCCCCCn1ccn2c(=O)cc(Cl)nc12
InChIInChI=1S/C12H16ClN3O/c1-2-3-4-5-6-15-7-8-16-11(17)9-10(13)14-12(15)16/h7-9H,2-6H2,1H3
InChIKeyXTQSQLZRTUTUAD-UHFFFAOYSA-N
MW253.73 g/mol
LogP2.73
Rot. Bonds5

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

7-chloro-1-hexylimidazo[1,2-a]pyrimidin-5-one (PubChem CID 10060844) has the molecular formula C12H16ClN3O and a molecular weight of 253.73 g/mol. Its IUPAC name is 7-chloro-1-hexylimidazo[1,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-chloro-1-hexylimidazo[1,2-a]pyrimidin-5-one
PubChem CID10060844
Molecular FormulaC12H16ClN3O
Molecular Weight253.73 g/mol
Exact Mass253.10
IUPAC Name7-chloro-1-hexylimidazo[1,2-a]pyrimidin-5-one
SMILESCCCCCCn1ccn2c(=O)cc(Cl)nc12
InChIInChI=1S/C12H16ClN3O/c1-2-3-4-5-6-15-7-8-16-11(17)9-10(13)14-12(15)16/h7-9H,2-6H2,1H3
InChIKeyXTQSQLZRTUTUAD-UHFFFAOYSA-N
XLogP2.73
TPSA39.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.73
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Cwpakppsuvqhbb-uhfffaoysa-
CID 10013741
Rivlvkkwiiobke-uhfffaoysa-
CID 10376739
Ytkslrqthvjafk-uhfffaoysa-
CID 10399364

Frequently Asked Questions

What is the IUPAC name of 7-chloro-1-hexylimidazo[1,2-a]pyrimidin-5-one?
The IUPAC name of 7-chloro-1-hexylimidazo[1,2-a]pyrimidin-5-one (CID 10060844) is 7-chloro-1-hexylimidazo[1,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-chloro-1-hexylimidazo[1,2-a]pyrimidin-5-one?
The canonical SMILES for 7-chloro-1-hexylimidazo[1,2-a]pyrimidin-5-one is CCCCCCn1ccn2c(=O)cc(Cl)nc12.
What is the InChIKey of 7-chloro-1-hexylimidazo[1,2-a]pyrimidin-5-one?
The InChIKey is XTQSQLZRTUTUAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3O/c1-2-3-4-5-6-15-7-8-16-11(17)9-10(13)14-12(15)16/h7-9H,2-6H2,1H3.
What are the key properties of 7-chloro-1-hexylimidazo[1,2-a]pyrimidin-5-one?
7-chloro-1-hexylimidazo[1,2-a]pyrimidin-5-one has a molecular weight of 253.73 g/mol, XLogP of 2.73, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1-hexylimidazo[1,2-a]pyrimidin-5-one is sourced from PubChem (CID 10060844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).