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

C14H23N3O2 — CID 160794602

IUPAC6,7-di(propan-2-yl)-1,2-dihydroimidazo[1,2-a]pyrimidine-3,5-dione;ethane
SMILESCC.CC(C)c1nc2n(c(=O)c1C(C)C)C(=O)CN2
InChIInChI=1S/C12H17N3O2.C2H6/c1-6(2)9-10(7(3)4)14-12-13-5-8(16)15(12)11(9)17;1-2/h6-7H,5H2,1-4H3,(H,13,14);1-2H3
InChIKeySCGSMIVCYBMVNA-UHFFFAOYSA-N
MW265.36 g/mol
LogP2.58
Rot. Bonds2

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

6,7-di(propan-2-yl)-1,2-dihydroimidazo[1,2-a]pyrimidine-3,5-dione;ethane (PubChem CID 160794602) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 6,7-di(propan-2-yl)-1,2-dihydroimidazo[1,2-a]pyrimidine-3,5-dione;ethane.

Molecular Properties

Compound Name6,7-di(propan-2-yl)-1,2-dihydroimidazo[1,2-a]pyrimidine-3,5-dione;ethane
PubChem CID160794602
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name6,7-di(propan-2-yl)-1,2-dihydroimidazo[1,2-a]pyrimidine-3,5-dione;ethane
SMILESCC.CC(C)c1nc2n(c(=O)c1C(C)C)C(=O)CN2
InChIInChI=1S/C12H17N3O2.C2H6/c1-6(2)9-10(7(3)4)14-12-13-5-8(16)15(12)11(9)17;1-2/h6-7H,5H2,1-4H3,(H,13,14);1-2H3
InChIKeySCGSMIVCYBMVNA-UHFFFAOYSA-N
XLogP2.58
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Imidazo(1,2-a)pyrimidin-5(1H)-one, 6-ethyl-2,3-dihydro-7-methyl-
CID 152767
7-(2-Methylpropanoyl)-2-pyrrolidin-1-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136707028
5-ethyl-4-methyl-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-1H-pyrimidin-6-one
CID 136761455
5-butyl-6-ethyl-2,3-dihydro-1H-imidazo[1,2-a]pyrimidin-7-one
CID 139542427
6,7-Di(propan-2-yl)-1,3-dihydroimidazo[1,2-a]pyrimidine-2,5-dione
CID 153434352
6,7-Di(propan-2-yl)-1,2-dihydroimidazo[1,2-a]pyrimidine-3,5-dione
CID 153434357
3-Methyl-6,7-di(propan-2-yl)-1,3-dihydroimidazo[1,2-a]pyrimidine-2,5-dione
CID 166788803
3-[2-(2,3-dimethyl-4-oxo-3,4,5,6,8,9-hexahydro-7H-pyrimido[4,5-d]azepin-7-yl)-2-oxoethyl]imidazolidine-2,4-dione
CID 118780336
7-Methyl-6-(3-methylbutyl)-1,3-dihydroimidazo[1,2-a]pyrimidine-2,5-dione
CID 135740399
5-ethyl-4-methyl-2-pyrrolidin-1-yl-1H-pyrimidin-6-one
CID 135973659
1-{2-[2-(dimethylamino)-4-oxo-4,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-7(3H)-yl]-2-oxoethyl}-5,5-dimethylimidazolidine-2,4-dione
CID 136052474
4-methyl-5-propan-2-yl-2-pyrrolidin-1-yl-1H-pyrimidin-6-one
CID 136165822

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;ethane?
The IUPAC name of 6,7-di(propan-2-yl)-1,2-dihydroimidazo[1,2-a]pyrimidine-3,5-dione;ethane (CID 160794602) is 6,7-di(propan-2-yl)-1,2-dihydroimidazo[1,2-a]pyrimidine-3,5-dione;ethane.
What is the SMILES notation for 6,7-di(propan-2-yl)-1,2-dihydroimidazo[1,2-a]pyrimidine-3,5-dione;ethane?
The canonical SMILES for 6,7-di(propan-2-yl)-1,2-dihydroimidazo[1,2-a]pyrimidine-3,5-dione;ethane is CC.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;ethane?
The InChIKey is SCGSMIVCYBMVNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2.C2H6/c1-6(2)9-10(7(3)4)14-12-13-5-8(16)15(12)11(9)17;1-2/h6-7H,5H2,1-4H3,(H,13,14);1-2H3.
What are the key properties of 6,7-di(propan-2-yl)-1,2-dihydroimidazo[1,2-a]pyrimidine-3,5-dione;ethane?
6,7-di(propan-2-yl)-1,2-dihydroimidazo[1,2-a]pyrimidine-3,5-dione;ethane has a molecular weight of 265.36 g/mol, XLogP of 2.58, 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;ethane is sourced from PubChem (CID 160794602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).