8-methyl-N-propan-2-yl-7-pyrimidin-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide;2,2,2-trifluoroacetic acid

C17H21F3N6O3 — CID 155828103

IUPAC8-methyl-N-propan-2-yl-7-pyrimidin-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide;2,2,2-trifluoroacetic acid
SMILESCC(C)NC(=O)c1cn2c(n1)C(C)N(c1ncccn1)CC2.O=C(O)C(F)(F)F
InChIInChI=1S/C15H20N6O.C2HF3O2/c1-10(2)18-14(22)12-9-20-7-8-21(11(3)13(20)19-12)15-16-5-4-6-17-15;3-2(4,5)1(6)7/h4-6,9-11H,7-8H2,1-3H3,(H,18,22);(H,6,7)
InChIKeyORFMIFCVSRXQKX-UHFFFAOYSA-N
MW414.39 g/mol
LogP2.03
Rot. Bonds3

About 8-methyl-N-propan-2-yl-7-pyrimidin-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide;2,2,2-trifluoroacetic acid

8-methyl-N-propan-2-yl-7-pyrimidin-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 155828103) has the molecular formula C17H21F3N6O3 and a molecular weight of 414.39 g/mol. Its IUPAC name is 8-methyl-N-propan-2-yl-7-pyrimidin-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name8-methyl-N-propan-2-yl-7-pyrimidin-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID155828103
Molecular FormulaC17H21F3N6O3
Molecular Weight414.39 g/mol
Exact Mass414.16
IUPAC Name8-methyl-N-propan-2-yl-7-pyrimidin-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide;2,2,2-trifluoroacetic acid
SMILESCC(C)NC(=O)c1cn2c(n1)C(C)N(c1ncccn1)CC2.O=C(O)C(F)(F)F
InChIInChI=1S/C15H20N6O.C2HF3O2/c1-10(2)18-14(22)12-9-20-7-8-21(11(3)13(20)19-12)15-16-5-4-6-17-15;3-2(4,5)1(6)7/h4-6,9-11H,7-8H2,1-3H3,(H,18,22);(H,6,7)
InChIKeyORFMIFCVSRXQKX-UHFFFAOYSA-N
XLogP2.03
TPSA113.24 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.39
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 8-methyl-N-propan-2-yl-7-pyrimidin-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide;2,2,2-trifluoroacetic acid with MolForge

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Related Compounds

N-[(3S,4R)-4-[(dimethylamino)methyl]-1-pyrimidin-2-ylpyrrolidin-3-yl]pyrazine-2-carboxamide
CID 91923130
N-[(3S,4R)-4-[(dimethylamino)methyl]-1-pyrimidin-4-ylpyrrolidin-3-yl]-5-methylpyrazine-2-carboxamide
CID 91922863
N-(2-((6-(4,5-dimethyl-1H-imidazol-1-yl)pyrimidin-4-yl)amino)ethyl)pyrazine-2-carboxamide
CID 56921398
[(2S)-2,4-dimethylpiperazin-1-yl]-imidazo[1,2-a]pyrimidin-2-ylmethanone
CID 97094229
N-methyl-7-[6-(trifluoromethyl)pyrimidin-4-yl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide
CID 97390953
N-propan-2-yl-7-[6-(trifluoromethyl)pyrimidin-4-yl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide
CID 97390959
[2-(diethylaminomethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-pyrazin-2-ylmethanone;2,2,2-trifluoroacetic acid
CID 118745361
N-[2-[2-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-oxoethyl]acetamide;bis(2,2,2-trifluoroacetic acid)
CID 118746397
7-But-2-ynyl-1-methyl-8-piperazin-1-yl-2-pyrimidin-2-yloxypurin-6-one;2,2,2-trifluoroacetic acid
CID 23070720
7-But-2-ynyl-1-methyl-2-(4-methylpyrimidin-2-yl)sulfanyl-8-piperazin-1-ylpurin-6-one;2,2,2-trifluoroacetic acid
CID 23070866
7-But-2-ynyl-1-methyl-8-piperazin-1-yl-2-pyrimidin-2-ylsulfanylpurin-6-one;2,2,2-trifluoroacetic acid
CID 23070924
N-[2-[2-(3,3-difluoroazetidin-1-yl)pyrimidin-5-yl]pyrimidin-4-yl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide
CID 118471515

Frequently Asked Questions

What is the IUPAC name of 8-methyl-N-propan-2-yl-7-pyrimidin-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of 8-methyl-N-propan-2-yl-7-pyrimidin-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide;2,2,2-trifluoroacetic acid (CID 155828103) is 8-methyl-N-propan-2-yl-7-pyrimidin-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 8-methyl-N-propan-2-yl-7-pyrimidin-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 8-methyl-N-propan-2-yl-7-pyrimidin-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide;2,2,2-trifluoroacetic acid is CC(C)NC(=O)c1cn2c(n1)C(C)N(c1ncccn1)CC2.O=C(O)C(F)(F)F.
What is the InChIKey of 8-methyl-N-propan-2-yl-7-pyrimidin-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is ORFMIFCVSRXQKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6O.C2HF3O2/c1-10(2)18-14(22)12-9-20-7-8-21(11(3)13(20)19-12)15-16-5-4-6-17-15;3-2(4,5)1(6)7/h4-6,9-11H,7-8H2,1-3H3,(H,18,22);(H,6,7).
What are the key properties of 8-methyl-N-propan-2-yl-7-pyrimidin-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide;2,2,2-trifluoroacetic acid?
8-methyl-N-propan-2-yl-7-pyrimidin-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 414.39 g/mol, XLogP of 2.03, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-N-propan-2-yl-7-pyrimidin-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155828103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).