3-methyl-6,7-di(propan-2-yl)-1,3-dihydroimidazo[1,2-a]pyrimidine-2,5-dione

C13H19N3O2 — CID 166788803

IUPAC3-methyl-6,7-di(propan-2-yl)-1,3-dihydroimidazo[1,2-a]pyrimidine-2,5-dione
SMILESCC(C)c1nc2n(c(=O)c1C(C)C)C(C)C(=O)N2
InChIInChI=1S/C13H19N3O2/c1-6(2)9-10(7(3)4)14-13-15-11(17)8(5)16(13)12(9)18/h6-8H,1-5H3,(H,14,15,17)
InChIKeyLYEGQKJZJZYXPN-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.00
Rot. Bonds2

About 3-methyl-6,7-di(propan-2-yl)-1,3-dihydroimidazo[1,2-a]pyrimidine-2,5-dione

3-methyl-6,7-di(propan-2-yl)-1,3-dihydroimidazo[1,2-a]pyrimidine-2,5-dione (PubChem CID 166788803) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 3-methyl-6,7-di(propan-2-yl)-1,3-dihydroimidazo[1,2-a]pyrimidine-2,5-dione.

Molecular Properties

Compound Name3-methyl-6,7-di(propan-2-yl)-1,3-dihydroimidazo[1,2-a]pyrimidine-2,5-dione
PubChem CID166788803
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name3-methyl-6,7-di(propan-2-yl)-1,3-dihydroimidazo[1,2-a]pyrimidine-2,5-dione
SMILESCC(C)c1nc2n(c(=O)c1C(C)C)C(C)C(=O)N2
InChIInChI=1S/C13H19N3O2/c1-6(2)9-10(7(3)4)14-13-15-11(17)8(5)16(13)12(9)18/h6-8H,1-5H3,(H,14,15,17)
InChIKeyLYEGQKJZJZYXPN-UHFFFAOYSA-N
XLogP2.00
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-6,7-di(propan-2-yl)-1,3-dihydroimidazo[1,2-a]pyrimidine-2,5-dione?
The IUPAC name of 3-methyl-6,7-di(propan-2-yl)-1,3-dihydroimidazo[1,2-a]pyrimidine-2,5-dione (CID 166788803) is 3-methyl-6,7-di(propan-2-yl)-1,3-dihydroimidazo[1,2-a]pyrimidine-2,5-dione.
What is the SMILES notation for 3-methyl-6,7-di(propan-2-yl)-1,3-dihydroimidazo[1,2-a]pyrimidine-2,5-dione?
The canonical SMILES for 3-methyl-6,7-di(propan-2-yl)-1,3-dihydroimidazo[1,2-a]pyrimidine-2,5-dione is CC(C)c1nc2n(c(=O)c1C(C)C)C(C)C(=O)N2.
What is the InChIKey of 3-methyl-6,7-di(propan-2-yl)-1,3-dihydroimidazo[1,2-a]pyrimidine-2,5-dione?
The InChIKey is LYEGQKJZJZYXPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-6(2)9-10(7(3)4)14-13-15-11(17)8(5)16(13)12(9)18/h6-8H,1-5H3,(H,14,15,17).
What are the key properties of 3-methyl-6,7-di(propan-2-yl)-1,3-dihydroimidazo[1,2-a]pyrimidine-2,5-dione?
3-methyl-6,7-di(propan-2-yl)-1,3-dihydroimidazo[1,2-a]pyrimidine-2,5-dione has a molecular weight of 249.31 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6,7-di(propan-2-yl)-1,3-dihydroimidazo[1,2-a]pyrimidine-2,5-dione is sourced from PubChem (CID 166788803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).