N-methyl-N-[(7-pyrimidin-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl)methyl]propan-2-amine;bis(2,2,2-trifluoroacetic acid)

C19H24F6N6O4 — CID 155832623

IUPACN-methyl-N-[(7-pyrimidin-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl)methyl]propan-2-amine;bis(2,2,2-trifluoroacetic acid)
SMILESCC(C)N(C)Cc1cnc2n1CCN(c1ncccn1)C2.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C15H22N6.2C2HF3O2/c1-12(2)19(3)10-13-9-18-14-11-20(7-8-21(13)14)15-16-5-4-6-17-15;2*3-2(4,5)1(6)7/h4-6,9,12H,7-8,10-11H2,1-3H3;2*(H,6,7)
InChIKeyZIQYEKCTRKFGMS-UHFFFAOYSA-N
MW514.43 g/mol
LogP2.80
Rot. Bonds4

About N-methyl-N-[(7-pyrimidin-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl)methyl]propan-2-amine;bis(2,2,2-trifluoroacetic acid)

N-methyl-N-[(7-pyrimidin-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl)methyl]propan-2-amine;bis(2,2,2-trifluoroacetic acid) (PubChem CID 155832623) has the molecular formula C19H24F6N6O4 and a molecular weight of 514.43 g/mol. Its IUPAC name is N-methyl-N-[(7-pyrimidin-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl)methyl]propan-2-amine;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

Compound NameN-methyl-N-[(7-pyrimidin-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl)methyl]propan-2-amine;bis(2,2,2-trifluoroacetic acid)
PubChem CID155832623
Molecular FormulaC19H24F6N6O4
Molecular Weight514.43 g/mol
Exact Mass514.18
IUPAC NameN-methyl-N-[(7-pyrimidin-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl)methyl]propan-2-amine;bis(2,2,2-trifluoroacetic acid)
SMILESCC(C)N(C)Cc1cnc2n1CCN(c1ncccn1)C2.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C15H22N6.2C2HF3O2/c1-12(2)19(3)10-13-9-18-14-11-20(7-8-21(13)14)15-16-5-4-6-17-15;2*3-2(4,5)1(6)7/h4-6,9,12H,7-8,10-11H2,1-3H3;2*(H,6,7)
InChIKeyZIQYEKCTRKFGMS-UHFFFAOYSA-N
XLogP2.80
TPSA124.68 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500514.43
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-methyl-N-[(7-pyrimidin-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl)methyl]propan-2-amine;bis(2,2,2-trifluoroacetic acid) with MolForge

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Related Compounds

8-[(3-Methylimidazol-4-yl)methyl]-1-pyrimidin-2-yl-1,8-diazaspiro[4.5]decane;2,2,2-trifluoroacetic acid
CID 118742729
8-[(1-Methylimidazol-2-yl)methyl]-1-pyrimidin-2-yl-1,8-diazaspiro[4.5]decane;2,2,2-trifluoroacetic acid
CID 118742739
8-methyl-3-(pyrazol-1-ylmethyl)-7-pyrimidin-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid
CID 118744623
N-[[7-(2-methoxyethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methyl]-N-methylpropan-2-amine;bis(2,2,2-trifluoroacetic acid)
CID 118745920
N,N-dimethyl-2-[2-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]acetamide;bis(2,2,2-trifluoroacetic acid)
CID 118746248
N-methyl-N-[[7-(oxolan-3-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]-1-pyrimidin-5-ylmethanamine;bis(2,2,2-trifluoroacetic acid)
CID 118746361
8-methyl-3-[(4-methylpiperazin-1-yl)methyl]-7-[(1-methylpyrazol-4-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;tris(2,2,2-trifluoroacetic acid)
CID 118747083
7-(cyclopropylmethyl)-8-methyl-3-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;tris(2,2,2-trifluoroacetic acid)
CID 118747147
(4aR,7aS)-6-[(3-methylimidazol-4-yl)methyl]-4-pyrimidin-2-yl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine;2,2,2-trifluoroacetic acid
CID 127022980
4-[(4aR,7aS)-6-[(1-methylimidazol-2-yl)methyl]-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-4-yl]-N,N-dimethylpyrimidin-2-amine;2,2,2-trifluoroacetic acid
CID 127023671
1-[2-[6-(Difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]azepan-4-amine;2,2,2-trifluoroacetic acid
CID 139343986
1-[4-[2-[3-[(Z)-3,3-difluoro-2-(methylideneamino)but-1-enyl]-2-methylimidazol-4-yl]pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 139359844

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(7-pyrimidin-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl)methyl]propan-2-amine;bis(2,2,2-trifluoroacetic acid)?
The IUPAC name of N-methyl-N-[(7-pyrimidin-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl)methyl]propan-2-amine;bis(2,2,2-trifluoroacetic acid) (CID 155832623) is N-methyl-N-[(7-pyrimidin-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl)methyl]propan-2-amine;bis(2,2,2-trifluoroacetic acid).
What is the SMILES notation for N-methyl-N-[(7-pyrimidin-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl)methyl]propan-2-amine;bis(2,2,2-trifluoroacetic acid)?
The canonical SMILES for N-methyl-N-[(7-pyrimidin-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl)methyl]propan-2-amine;bis(2,2,2-trifluoroacetic acid) is CC(C)N(C)Cc1cnc2n1CCN(c1ncccn1)C2.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.
What is the InChIKey of N-methyl-N-[(7-pyrimidin-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl)methyl]propan-2-amine;bis(2,2,2-trifluoroacetic acid)?
The InChIKey is ZIQYEKCTRKFGMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6.2C2HF3O2/c1-12(2)19(3)10-13-9-18-14-11-20(7-8-21(13)14)15-16-5-4-6-17-15;2*3-2(4,5)1(6)7/h4-6,9,12H,7-8,10-11H2,1-3H3;2*(H,6,7).
What are the key properties of N-methyl-N-[(7-pyrimidin-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl)methyl]propan-2-amine;bis(2,2,2-trifluoroacetic acid)?
N-methyl-N-[(7-pyrimidin-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl)methyl]propan-2-amine;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 514.43 g/mol, XLogP of 2.80, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(7-pyrimidin-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl)methyl]propan-2-amine;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 155832623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).