8-methyl-2,3,6,7-tetrahydroimidazo[1,2-a]pyrimidin-5-one

C7H11N3O — CID 4191461

IUPAC8-methyl-2,3,6,7-tetrahydroimidazo[1,2-a]pyrimidin-5-one
SMILESCN1CCC(=O)N2CCN=C12
InChIInChI=1S/C7H11N3O/c1-9-4-2-6(11)10-5-3-8-7(9)10/h2-5H2,1H3
InChIKeyQSTYPVLKHSQITM-UHFFFAOYSA-N
MW153.18 g/mol
LogP-0.48
Rot. Bonds

About 8-methyl-2,3,6,7-tetrahydroimidazo[1,2-a]pyrimidin-5-one

8-methyl-2,3,6,7-tetrahydroimidazo[1,2-a]pyrimidin-5-one (PubChem CID 4191461) has the molecular formula C7H11N3O and a molecular weight of 153.18 g/mol. Its IUPAC name is 8-methyl-2,3,6,7-tetrahydroimidazo[1,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name8-methyl-2,3,6,7-tetrahydroimidazo[1,2-a]pyrimidin-5-one
PubChem CID4191461
Molecular FormulaC7H11N3O
Molecular Weight153.18 g/mol
Exact Mass153.09
IUPAC Name8-methyl-2,3,6,7-tetrahydroimidazo[1,2-a]pyrimidin-5-one
SMILESCN1CCC(=O)N2CCN=C12
InChIInChI=1S/C7H11N3O/c1-9-4-2-6(11)10-5-3-8-7(9)10/h2-5H2,1H3
InChIKeyQSTYPVLKHSQITM-UHFFFAOYSA-N
XLogP-0.48
TPSA35.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 5-0.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-2,3,6,7-tetrahydroimidazo[1,2-a]pyrimidin-5-one?
The IUPAC name of 8-methyl-2,3,6,7-tetrahydroimidazo[1,2-a]pyrimidin-5-one (CID 4191461) is 8-methyl-2,3,6,7-tetrahydroimidazo[1,2-a]pyrimidin-5-one.
What is the SMILES notation for 8-methyl-2,3,6,7-tetrahydroimidazo[1,2-a]pyrimidin-5-one?
The canonical SMILES for 8-methyl-2,3,6,7-tetrahydroimidazo[1,2-a]pyrimidin-5-one is CN1CCC(=O)N2CCN=C12.
What is the InChIKey of 8-methyl-2,3,6,7-tetrahydroimidazo[1,2-a]pyrimidin-5-one?
The InChIKey is QSTYPVLKHSQITM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O/c1-9-4-2-6(11)10-5-3-8-7(9)10/h2-5H2,1H3.
What are the key properties of 8-methyl-2,3,6,7-tetrahydroimidazo[1,2-a]pyrimidin-5-one?
8-methyl-2,3,6,7-tetrahydroimidazo[1,2-a]pyrimidin-5-one has a molecular weight of 153.18 g/mol, XLogP of -0.48, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-2,3,6,7-tetrahydroimidazo[1,2-a]pyrimidin-5-one is sourced from PubChem (CID 4191461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).