1-[7-(6-methoxypyrimidin-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]-N,N-dimethylmethanamine;bis(2,2,2-trifluoroacetic acid)

C18H22F6N6O5 — CID 155828613

IUPAC1-[7-(6-methoxypyrimidin-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]-N,N-dimethylmethanamine;bis(2,2,2-trifluoroacetic acid)
SMILESCOc1cc(N2Cc3cncn3C(CN(C)C)C2)ncn1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C14H20N6O.2C2HF3O2/c1-18(2)6-12-8-19(7-11-5-15-10-20(11)12)13-4-14(21-3)17-9-16-13;2*3-2(4,5)1(6)7/h4-5,9-10,12H,6-8H2,1-3H3;2*(H,6,7)
InChIKeyWQDDOCKENCDPKQ-UHFFFAOYSA-N
MW516.40 g/mol
LogP2.07
Rot. Bonds4

About 1-[7-(6-methoxypyrimidin-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]-N,N-dimethylmethanamine;bis(2,2,2-trifluoroacetic acid)

1-[7-(6-methoxypyrimidin-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]-N,N-dimethylmethanamine;bis(2,2,2-trifluoroacetic acid) (PubChem CID 155828613) has the molecular formula C18H22F6N6O5 and a molecular weight of 516.40 g/mol. Its IUPAC name is 1-[7-(6-methoxypyrimidin-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]-N,N-dimethylmethanamine;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

Compound Name1-[7-(6-methoxypyrimidin-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]-N,N-dimethylmethanamine;bis(2,2,2-trifluoroacetic acid)
PubChem CID155828613
Molecular FormulaC18H22F6N6O5
Molecular Weight516.40 g/mol
Exact Mass516.16
IUPAC Name1-[7-(6-methoxypyrimidin-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]-N,N-dimethylmethanamine;bis(2,2,2-trifluoroacetic acid)
SMILESCOc1cc(N2Cc3cncn3C(CN(C)C)C2)ncn1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C14H20N6O.2C2HF3O2/c1-18(2)6-12-8-19(7-11-5-15-10-20(11)12)13-4-14(21-3)17-9-16-13;2*3-2(4,5)1(6)7/h4-5,9-10,12H,6-8H2,1-3H3;2*(H,6,7)
InChIKeyWQDDOCKENCDPKQ-UHFFFAOYSA-N
XLogP2.07
TPSA133.91 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500516.40
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 1-[7-(6-methoxypyrimidin-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]-N,N-dimethylmethanamine;bis(2,2,2-trifluoroacetic acid) with MolForge

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Related Compounds

1-[1-[[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]methyl]triazol-4-yl]-N-methylmethanamine;bis(2,2,2-trifluoroacetic acid)
CID 154885785
4-Methoxy-6-[4-[4-(pyrrolidin-1-ylmethyl)triazol-1-yl]piperidin-1-yl]pyrimidine;bis(2,2,2-trifluoroacetic acid)
CID 154889633
[1-[[1-(6-Methoxypyrimidin-4-yl)piperidin-4-yl]methyl]triazol-4-yl]methanol;2,2,2-trifluoroacetic acid
CID 154890153
4-Methoxy-6-(4-pyrazin-2-ylpiperazin-1-yl)pyrimidine;bis(2,2,2-trifluoroacetic acid)
CID 154924352
4-(6-Methoxypyrimidin-4-yl)-3-(4-pyrrolidin-1-ylpyrimidin-2-yl)morpholine;bis(2,2,2-trifluoroacetic acid)
CID 155831789
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
6-(Methoxymethyl)-8-(6-methoxypyrimidin-4-yl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine;2,2,2-trifluoroacetic acid
CID 155852425
N-[[7-(cyclopropylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]-6-methoxypyrimidin-4-amine;bis(2,2,2-trifluoroacetic acid)
CID 155860036
7-(6-Methoxypyrimidin-4-yl)-3-(pyrrolidin-1-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine;2,2,2-trifluoroacetic acid
CID 155860041
2-cyclopropyl-N-[[7-(6-methoxypyrimidin-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methyl]acetamide;2,2,2-trifluoroacetic acid
CID 155860066
4-Methoxy-2-{4-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]piperazin-1-yl}pyrimidine
CID 166605289
3-(methoxymethyl)-7-(6-methoxypyrimidin-4-yl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
CID 131651776

Frequently Asked Questions

What is the IUPAC name of 1-[7-(6-methoxypyrimidin-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]-N,N-dimethylmethanamine;bis(2,2,2-trifluoroacetic acid)?
The IUPAC name of 1-[7-(6-methoxypyrimidin-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]-N,N-dimethylmethanamine;bis(2,2,2-trifluoroacetic acid) (CID 155828613) is 1-[7-(6-methoxypyrimidin-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]-N,N-dimethylmethanamine;bis(2,2,2-trifluoroacetic acid).
What is the SMILES notation for 1-[7-(6-methoxypyrimidin-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]-N,N-dimethylmethanamine;bis(2,2,2-trifluoroacetic acid)?
The canonical SMILES for 1-[7-(6-methoxypyrimidin-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]-N,N-dimethylmethanamine;bis(2,2,2-trifluoroacetic acid) is COc1cc(N2Cc3cncn3C(CN(C)C)C2)ncn1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.
What is the InChIKey of 1-[7-(6-methoxypyrimidin-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]-N,N-dimethylmethanamine;bis(2,2,2-trifluoroacetic acid)?
The InChIKey is WQDDOCKENCDPKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6O.2C2HF3O2/c1-18(2)6-12-8-19(7-11-5-15-10-20(11)12)13-4-14(21-3)17-9-16-13;2*3-2(4,5)1(6)7/h4-5,9-10,12H,6-8H2,1-3H3;2*(H,6,7).
What are the key properties of 1-[7-(6-methoxypyrimidin-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]-N,N-dimethylmethanamine;bis(2,2,2-trifluoroacetic acid)?
1-[7-(6-methoxypyrimidin-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]-N,N-dimethylmethanamine;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 516.40 g/mol, XLogP of 2.07, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-(6-methoxypyrimidin-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]-N,N-dimethylmethanamine;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 155828613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).