N-methyl-7-[6-(trifluoromethyl)pyrimidin-4-yl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide

C13H13F3N6O — CID 97390953

IUPACN-methyl-7-[6-(trifluoromethyl)pyrimidin-4-yl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide
SMILESCNC(=O)c1cnc2n1CCN(c1cc(C(F)(F)F)ncn1)C2
InChIInChI=1S/C13H13F3N6O/c1-17-12(23)8-5-18-11-6-21(2-3-22(8)11)10-4-9(13(14,15)16)19-7-20-10/h4-5,7H,2-3,6H2,1H3,(H,17,23)
InChIKeyOVKRTRJNXCYAIJ-UHFFFAOYSA-N
MW326.28 g/mol
LogP1.07
Rot. Bonds2

About N-methyl-7-[6-(trifluoromethyl)pyrimidin-4-yl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide

N-methyl-7-[6-(trifluoromethyl)pyrimidin-4-yl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide (PubChem CID 97390953) has the molecular formula C13H13F3N6O and a molecular weight of 326.28 g/mol. Its IUPAC name is N-methyl-7-[6-(trifluoromethyl)pyrimidin-4-yl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-7-[6-(trifluoromethyl)pyrimidin-4-yl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide
PubChem CID97390953
Molecular FormulaC13H13F3N6O
Molecular Weight326.28 g/mol
Exact Mass326.11
IUPAC NameN-methyl-7-[6-(trifluoromethyl)pyrimidin-4-yl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide
SMILESCNC(=O)c1cnc2n1CCN(c1cc(C(F)(F)F)ncn1)C2
InChIInChI=1S/C13H13F3N6O/c1-17-12(23)8-5-18-11-6-21(2-3-22(8)11)10-4-9(13(14,15)16)19-7-20-10/h4-5,7H,2-3,6H2,1H3,(H,17,23)
InChIKeyOVKRTRJNXCYAIJ-UHFFFAOYSA-N
XLogP1.07
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.28
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-(4-(2-(tert-Butyl)-6-(trifluoromethyl)pyrimidin-4-yl)piperazin-1-yl)butyl)imidazo[1,2-a]pyrimidine-2-carboxamide
CID 73671216
N-(4-(4-(2-(tert-Butyl)-6-(trifluoromethyl)pyrimidin-4-yl)piperazin-1-yl)butyl)imidazo[1,2-a]pyrazine-2-carboxamide
CID 73671217
2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4,6-dimethylpyrimidin-2-yl)acetamide
CID 787318
N-(2-((6-(pyrrolidin-1-yl)pyrimidin-4-yl)amino)ethyl)pyrazine-2-carboxamide
CID 56920499
N-{1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl}pyrazine-2-carboxamide
CID 91892426
[2-(4-Methylpyrimidin-2-yl)pyrrolidin-1-yl]-pyrazin-2-ylmethanone
CID 110270776
[2-(4-Amino-6-methylpyrimidin-2-yl)-2-methylpyrrolidin-1-yl]-pyrazin-2-ylmethanone
CID 110272179
(4-(6-Methyl-2-(pyrrolidin-1-yl)pyrimidin-4-yl)piperazin-1-yl)(pyrazin-2-yl)methanone
CID 121090342
N-(2-{[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino}ethyl)pyrazine-2-carboxamide
CID 49676093
Pyrazin-2-yl(4-(6-(trifluoromethyl)pyrimidin-4-yl)piperazin-1-yl)methanone
CID 91631535
1-methyl-5-pyrimidin-2-yl-N-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide
CID 97385223
N-propan-2-yl-7-[6-(trifluoromethyl)pyrimidin-4-yl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide
CID 97390959

Frequently Asked Questions

What is the IUPAC name of N-methyl-7-[6-(trifluoromethyl)pyrimidin-4-yl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide?
The IUPAC name of N-methyl-7-[6-(trifluoromethyl)pyrimidin-4-yl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide (CID 97390953) is N-methyl-7-[6-(trifluoromethyl)pyrimidin-4-yl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide.
What is the SMILES notation for N-methyl-7-[6-(trifluoromethyl)pyrimidin-4-yl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide?
The canonical SMILES for N-methyl-7-[6-(trifluoromethyl)pyrimidin-4-yl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide is CNC(=O)c1cnc2n1CCN(c1cc(C(F)(F)F)ncn1)C2.
What is the InChIKey of N-methyl-7-[6-(trifluoromethyl)pyrimidin-4-yl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide?
The InChIKey is OVKRTRJNXCYAIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N6O/c1-17-12(23)8-5-18-11-6-21(2-3-22(8)11)10-4-9(13(14,15)16)19-7-20-10/h4-5,7H,2-3,6H2,1H3,(H,17,23).
What are the key properties of N-methyl-7-[6-(trifluoromethyl)pyrimidin-4-yl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide?
N-methyl-7-[6-(trifluoromethyl)pyrimidin-4-yl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide has a molecular weight of 326.28 g/mol, XLogP of 1.07, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-7-[6-(trifluoromethyl)pyrimidin-4-yl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide is sourced from PubChem (CID 97390953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).