7-[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one

C11H13F3N6O — CID 106772418

IUPAC7-[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
SMILESNc1cc(N2CCN3C(=O)NCC3C2)nc(C(F)(F)F)n1
InChIInChI=1S/C11H13F3N6O/c12-11(13,14)9-17-7(15)3-8(18-9)19-1-2-20-6(5-19)4-16-10(20)21/h3,6H,1-2,4-5H2,(H,16,21)(H2,15,17,18)
InChIKeyKBXIMIHHQWBTEQ-UHFFFAOYSA-N
MW302.26 g/mol
LogP0.29
Rot. Bonds1

About 7-[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one

7-[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one (PubChem CID 106772418) has the molecular formula C11H13F3N6O and a molecular weight of 302.26 g/mol. Its IUPAC name is 7-[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one.

Molecular Properties

Compound Name7-[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
PubChem CID106772418
Molecular FormulaC11H13F3N6O
Molecular Weight302.26 g/mol
Exact Mass302.11
IUPAC Name7-[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
SMILESNc1cc(N2CCN3C(=O)NCC3C2)nc(C(F)(F)F)n1
InChIInChI=1S/C11H13F3N6O/c12-11(13,14)9-17-7(15)3-8(18-9)19-1-2-20-6(5-19)4-16-10(20)21/h3,6H,1-2,4-5H2,(H,16,21)(H2,15,17,18)
InChIKeyKBXIMIHHQWBTEQ-UHFFFAOYSA-N
XLogP0.29
TPSA87.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.26
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

7-(3-amino-1,2-thiazol-5-yl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 103359130
1-[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-3-ol
CID 106771825
6-(3,4-dimethylpiperidin-1-yl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106773226
6-pyrrolidin-1-yl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106770242
4-[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]morpholine-2-carbonitrile
CID 106772473
7-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 137009803
1-[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 106769928
6-(3-propylpyrrolidin-1-yl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106772949
7-[6-(ethylamino)-2-methylpyrimidin-4-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 80848239
7-(5-amino-2-methylphenyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 79092401
7-(2-amino-5-bromo-4-fluorophenyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 116736084
7-[6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 80958788

Frequently Asked Questions

What is the IUPAC name of 7-[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The IUPAC name of 7-[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one (CID 106772418) is 7-[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one.
What is the SMILES notation for 7-[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The canonical SMILES for 7-[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one is Nc1cc(N2CCN3C(=O)NCC3C2)nc(C(F)(F)F)n1.
What is the InChIKey of 7-[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The InChIKey is KBXIMIHHQWBTEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N6O/c12-11(13,14)9-17-7(15)3-8(18-9)19-1-2-20-6(5-19)4-16-10(20)21/h3,6H,1-2,4-5H2,(H,16,21)(H2,15,17,18).
What are the key properties of 7-[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
7-[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one has a molecular weight of 302.26 g/mol, XLogP of 0.29, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one is sourced from PubChem (CID 106772418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).