5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-2-yl-(2,3,5-trimethylpiperidin-1-yl)methanone

C15H24N4O — CID 136709199

IUPAC5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-2-yl-(2,3,5-trimethylpiperidin-1-yl)methanone
SMILESCC1CC(C)C(C)N(C(=O)c2cn3c(n2)NCCC3)C1
InChIInChI=1S/C15H24N4O/c1-10-7-11(2)12(3)19(8-10)14(20)13-9-18-6-4-5-16-15(18)17-13/h9-12H,4-8H2,1-3H3,(H,16,17)
InChIKeyCVZCYMRWKDVVSM-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.21
Rot. Bonds1

About 5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-2-yl-(2,3,5-trimethylpiperidin-1-yl)methanone

5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-2-yl-(2,3,5-trimethylpiperidin-1-yl)methanone (PubChem CID 136709199) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is 5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-2-yl-(2,3,5-trimethylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-2-yl-(2,3,5-trimethylpiperidin-1-yl)methanone
PubChem CID136709199
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-2-yl-(2,3,5-trimethylpiperidin-1-yl)methanone
SMILESCC1CC(C)C(C)N(C(=O)c2cn3c(n2)NCCC3)C1
InChIInChI=1S/C15H24N4O/c1-10-7-11(2)12(3)19(8-10)14(20)13-9-18-6-4-5-16-15(18)17-13/h9-12H,4-8H2,1-3H3,(H,16,17)
InChIKeyCVZCYMRWKDVVSM-UHFFFAOYSA-N
XLogP2.21
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-2-yl-(2,3,5-trimethylpiperidin-1-yl)methanone?
The IUPAC name of 5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-2-yl-(2,3,5-trimethylpiperidin-1-yl)methanone (CID 136709199) is 5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-2-yl-(2,3,5-trimethylpiperidin-1-yl)methanone.
What is the SMILES notation for 5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-2-yl-(2,3,5-trimethylpiperidin-1-yl)methanone?
The canonical SMILES for 5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-2-yl-(2,3,5-trimethylpiperidin-1-yl)methanone is CC1CC(C)C(C)N(C(=O)c2cn3c(n2)NCCC3)C1.
What is the InChIKey of 5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-2-yl-(2,3,5-trimethylpiperidin-1-yl)methanone?
The InChIKey is CVZCYMRWKDVVSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-10-7-11(2)12(3)19(8-10)14(20)13-9-18-6-4-5-16-15(18)17-13/h9-12H,4-8H2,1-3H3,(H,16,17).
What are the key properties of 5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-2-yl-(2,3,5-trimethylpiperidin-1-yl)methanone?
5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-2-yl-(2,3,5-trimethylpiperidin-1-yl)methanone has a molecular weight of 276.38 g/mol, XLogP of 2.21, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-2-yl-(2,3,5-trimethylpiperidin-1-yl)methanone is sourced from PubChem (CID 136709199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).