2,3,5-trimethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrimidin-7-one

C9H13N3O — CID 137219272

IUPAC2,3,5-trimethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrimidin-7-one
SMILESCc1nc2n(c1C)C(C)CC(=O)N2
InChIInChI=1S/C9H13N3O/c1-5-4-8(13)11-9-10-6(2)7(3)12(5)9/h5H,4H2,1-3H3,(H,10,11,13)
InChIKeyWWLZIJYLAKFHHS-UHFFFAOYSA-N
MW179.22 g/mol
LogP1.40
Rot. Bonds

About 2,3,5-trimethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrimidin-7-one

2,3,5-trimethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrimidin-7-one (PubChem CID 137219272) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is 2,3,5-trimethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrimidin-7-one.

Molecular Properties

Compound Name2,3,5-trimethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrimidin-7-one
PubChem CID137219272
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC Name2,3,5-trimethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrimidin-7-one
SMILESCc1nc2n(c1C)C(C)CC(=O)N2
InChIInChI=1S/C9H13N3O/c1-5-4-8(13)11-9-10-6(2)7(3)12(5)9/h5H,4H2,1-3H3,(H,10,11,13)
InChIKeyWWLZIJYLAKFHHS-UHFFFAOYSA-N
XLogP1.40
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,3,5-trimethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrimidin-7-one?
The IUPAC name of 2,3,5-trimethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrimidin-7-one (CID 137219272) is 2,3,5-trimethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrimidin-7-one.
What is the SMILES notation for 2,3,5-trimethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrimidin-7-one?
The canonical SMILES for 2,3,5-trimethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrimidin-7-one is Cc1nc2n(c1C)C(C)CC(=O)N2.
What is the InChIKey of 2,3,5-trimethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrimidin-7-one?
The InChIKey is WWLZIJYLAKFHHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O/c1-5-4-8(13)11-9-10-6(2)7(3)12(5)9/h5H,4H2,1-3H3,(H,10,11,13).
What are the key properties of 2,3,5-trimethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrimidin-7-one?
2,3,5-trimethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrimidin-7-one has a molecular weight of 179.22 g/mol, XLogP of 1.40, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5-trimethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrimidin-7-one is sourced from PubChem (CID 137219272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).