3-(2-oxohexyl)-6H-imidazo[1,2-c]pyrimidin-5-one

C12H15N3O2 — CID 169449457

IUPAC3-(2-oxohexyl)-6H-imidazo[1,2-c]pyrimidin-5-one
SMILESCCCCC(=O)Cc1cnc2cc[nH]c(=O)n12
InChIInChI=1S/C12H15N3O2/c1-2-3-4-10(16)7-9-8-14-11-5-6-13-12(17)15(9)11/h5-6,8H,2-4,7H2,1H3,(H,13,17)
InChIKeyZXVXRQPTWMTIRK-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.32
Rot. Bonds5

About 3-(2-oxohexyl)-6H-imidazo[1,2-c]pyrimidin-5-one

3-(2-oxohexyl)-6H-imidazo[1,2-c]pyrimidin-5-one (PubChem CID 169449457) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 3-(2-oxohexyl)-6H-imidazo[1,2-c]pyrimidin-5-one.

Molecular Properties

Compound Name3-(2-oxohexyl)-6H-imidazo[1,2-c]pyrimidin-5-one
PubChem CID169449457
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name3-(2-oxohexyl)-6H-imidazo[1,2-c]pyrimidin-5-one
SMILESCCCCC(=O)Cc1cnc2cc[nH]c(=O)n12
InChIInChI=1S/C12H15N3O2/c1-2-3-4-10(16)7-9-8-14-11-5-6-13-12(17)15(9)11/h5-6,8H,2-4,7H2,1H3,(H,13,17)
InChIKeyZXVXRQPTWMTIRK-UHFFFAOYSA-N
XLogP1.32
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-oxohexyl)-6H-imidazo[1,2-c]pyrimidin-5-one?
The IUPAC name of 3-(2-oxohexyl)-6H-imidazo[1,2-c]pyrimidin-5-one (CID 169449457) is 3-(2-oxohexyl)-6H-imidazo[1,2-c]pyrimidin-5-one.
What is the SMILES notation for 3-(2-oxohexyl)-6H-imidazo[1,2-c]pyrimidin-5-one?
The canonical SMILES for 3-(2-oxohexyl)-6H-imidazo[1,2-c]pyrimidin-5-one is CCCCC(=O)Cc1cnc2cc[nH]c(=O)n12.
What is the InChIKey of 3-(2-oxohexyl)-6H-imidazo[1,2-c]pyrimidin-5-one?
The InChIKey is ZXVXRQPTWMTIRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-2-3-4-10(16)7-9-8-14-11-5-6-13-12(17)15(9)11/h5-6,8H,2-4,7H2,1H3,(H,13,17).
What are the key properties of 3-(2-oxohexyl)-6H-imidazo[1,2-c]pyrimidin-5-one?
3-(2-oxohexyl)-6H-imidazo[1,2-c]pyrimidin-5-one has a molecular weight of 233.27 g/mol, XLogP of 1.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-oxohexyl)-6H-imidazo[1,2-c]pyrimidin-5-one is sourced from PubChem (CID 169449457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).