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

C12H17N3O2 — CID 153434357

IUPAC6,7-di(propan-2-yl)-1,2-dihydroimidazo[1,2-a]pyrimidine-3,5-dione
SMILESCC(C)c1nc2n(c(=O)c1C(C)C)C(=O)CN2
InChIInChI=1S/C12H17N3O2/c1-6(2)9-10(7(3)4)14-12-13-5-8(16)15(12)11(9)17/h6-7H,5H2,1-4H3,(H,13,14)
InChIKeyDLIXNQPOXNTNPL-UHFFFAOYSA-N
MW235.29 g/mol
LogP1.56
Rot. Bonds2

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

6,7-di(propan-2-yl)-1,2-dihydroimidazo[1,2-a]pyrimidine-3,5-dione (PubChem CID 153434357) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 6,7-di(propan-2-yl)-1,2-dihydroimidazo[1,2-a]pyrimidine-3,5-dione.

Molecular Properties

Compound Name6,7-di(propan-2-yl)-1,2-dihydroimidazo[1,2-a]pyrimidine-3,5-dione
PubChem CID153434357
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name6,7-di(propan-2-yl)-1,2-dihydroimidazo[1,2-a]pyrimidine-3,5-dione
SMILESCC(C)c1nc2n(c(=O)c1C(C)C)C(=O)CN2
InChIInChI=1S/C12H17N3O2/c1-6(2)9-10(7(3)4)14-12-13-5-8(16)15(12)11(9)17/h6-7H,5H2,1-4H3,(H,13,14)
InChIKeyDLIXNQPOXNTNPL-UHFFFAOYSA-N
XLogP1.56
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6,7-di(propan-2-yl)-1,2-dihydroimidazo[1,2-a]pyrimidine-3,5-dione?
The IUPAC name of 6,7-di(propan-2-yl)-1,2-dihydroimidazo[1,2-a]pyrimidine-3,5-dione (CID 153434357) is 6,7-di(propan-2-yl)-1,2-dihydroimidazo[1,2-a]pyrimidine-3,5-dione.
What is the SMILES notation for 6,7-di(propan-2-yl)-1,2-dihydroimidazo[1,2-a]pyrimidine-3,5-dione?
The canonical SMILES for 6,7-di(propan-2-yl)-1,2-dihydroimidazo[1,2-a]pyrimidine-3,5-dione is CC(C)c1nc2n(c(=O)c1C(C)C)C(=O)CN2.
What is the InChIKey of 6,7-di(propan-2-yl)-1,2-dihydroimidazo[1,2-a]pyrimidine-3,5-dione?
The InChIKey is DLIXNQPOXNTNPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-6(2)9-10(7(3)4)14-12-13-5-8(16)15(12)11(9)17/h6-7H,5H2,1-4H3,(H,13,14).
What are the key properties of 6,7-di(propan-2-yl)-1,2-dihydroimidazo[1,2-a]pyrimidine-3,5-dione?
6,7-di(propan-2-yl)-1,2-dihydroimidazo[1,2-a]pyrimidine-3,5-dione has a molecular weight of 235.29 g/mol, XLogP of 1.56, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-di(propan-2-yl)-1,2-dihydroimidazo[1,2-a]pyrimidine-3,5-dione is sourced from PubChem (CID 153434357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).