[2-(dimethylamino)pyrimidin-5-yl]-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone

C14H15F3N6O — CID 46960208

IUPAC[2-(dimethylamino)pyrimidin-5-yl]-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone
SMILESCN(C)c1ncc(C(=O)N2CCn3cc(C(F)(F)F)nc3C2)cn1
InChIInChI=1S/C14H15F3N6O/c1-21(2)13-18-5-9(6-19-13)12(24)23-4-3-22-7-10(14(15,16)17)20-11(22)8-23/h5-7H,3-4,8H2,1-2H3
InChIKeyOYUOHNFIFHULKE-UHFFFAOYSA-N
MW340.31 g/mol
LogP1.41
Rot. Bonds2

About [2-(dimethylamino)pyrimidin-5-yl]-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone

[2-(dimethylamino)pyrimidin-5-yl]-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone (PubChem CID 46960208) has the molecular formula C14H15F3N6O and a molecular weight of 340.31 g/mol. Its IUPAC name is [2-(dimethylamino)pyrimidin-5-yl]-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone.

Molecular Properties

Compound Name[2-(dimethylamino)pyrimidin-5-yl]-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone
PubChem CID46960208
Molecular FormulaC14H15F3N6O
Molecular Weight340.31 g/mol
Exact Mass340.13
IUPAC Name[2-(dimethylamino)pyrimidin-5-yl]-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone
SMILESCN(C)c1ncc(C(=O)N2CCn3cc(C(F)(F)F)nc3C2)cn1
InChIInChI=1S/C14H15F3N6O/c1-21(2)13-18-5-9(6-19-13)12(24)23-4-3-22-7-10(14(15,16)17)20-11(22)8-23/h5-7H,3-4,8H2,1-2H3
InChIKeyOYUOHNFIFHULKE-UHFFFAOYSA-N
XLogP1.41
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.31
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-(dimethylamino)pyrimidin-5-yl]-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone?
The IUPAC name of [2-(dimethylamino)pyrimidin-5-yl]-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone (CID 46960208) is [2-(dimethylamino)pyrimidin-5-yl]-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone.
What is the SMILES notation for [2-(dimethylamino)pyrimidin-5-yl]-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone?
The canonical SMILES for [2-(dimethylamino)pyrimidin-5-yl]-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone is CN(C)c1ncc(C(=O)N2CCn3cc(C(F)(F)F)nc3C2)cn1.
What is the InChIKey of [2-(dimethylamino)pyrimidin-5-yl]-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone?
The InChIKey is OYUOHNFIFHULKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N6O/c1-21(2)13-18-5-9(6-19-13)12(24)23-4-3-22-7-10(14(15,16)17)20-11(22)8-23/h5-7H,3-4,8H2,1-2H3.
What are the key properties of [2-(dimethylamino)pyrimidin-5-yl]-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone?
[2-(dimethylamino)pyrimidin-5-yl]-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone has a molecular weight of 340.31 g/mol, XLogP of 1.41, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(dimethylamino)pyrimidin-5-yl]-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone is sourced from PubChem (CID 46960208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).